SCHEMBL14872058

SCHEMBL14872058

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.55
▸ CALCRL Q16602 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ SIRT2 Q8IXJ6 5/20 0.48
▸ SIRT1 Q96EB6 5/20 0.48
▸ CTSL P07711 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ F2 P00734 3/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ PRSS2 P07478 3/20 0.47
▸ PRSS3 P35030 3/20 0.47
▸ KDM1A O60341 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14821040 0.93 SSTR3 (0.55) SSTR3CALCRLECE1LTA4HSIRT2
SCHEMBL18494988 0.93 SSTR3 (0.55) SSTR3CALCRLECE1LTA4HSIRT2
SCHEMBL17706674 0.93 SSTR3 (0.55) SSTR3CALCRLECE1LTA4HSIRT2
SCHEMBL19231508 0.91 SSTR3 (0.54) SSTR3CALCRLECE1LTA4HSIRT2
SCHEMBL12245289 0.88 SSTR3 (0.53) SSTR3CALCRLECE1LTA4HSIRT2
SCHEMBL22096459 0.87 SSTR3 (0.51) SSTR3CALCRLLTA4HSIRT2SIRT1
SCHEMBL16479322 0.87 SSTR3 (0.53) SSTR3CALCRLLTA4HSIRT2SIRT1
SCHEMBL24101424 0.86 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3KDM1A
SCHEMBL13684815 0.86 SSTR3 (0.56) SSTR3CALCRLLTA4HMMP3F2
SCHEMBL18774075 0.85 SIRT2 (0.50) SIRT2SIRT1MMP3SIRT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 — — EP disclosed
WO-2021104834-A1 COMBINATION THERAPY ADC THERAPEUTICS SA (CH) 2021-06-03 — — WO disclosed
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 — — EP disclosed
EP-2935268-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2017-11-22 — — EP disclosed
WO-2017129652-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2017-08-03 — — WO disclosed
EP-2751111-B1 Asymmetrical bis-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one) derivatives for the treatment of proliferative or autoimmune diseases MEDIMMUNE LTD (GB) 2017-04-26 — — EP disclosed
EP-2751110-B1 Asymmetrical bis-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one) derivatives for the treatment of proliferative and autoimmune diseases MEDIMMUNE LTD (GB) 2017-04-19 — — EP disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 — — EP disclosed
WO-2014174111-A1 AXL ANTIBODY-DRUG CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2014-10-30 — — WO disclosed
WO-2014096365-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES SPIROGEN SÀRL (CH) 2014-06-26 — — WO disclosed
WO-2014057118-A1 PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES ADC THERAPEUTICS SARL (CH) 2014-04-17 — — WO disclosed
WO-2014057122-A1 PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES ADC THERAPEUTICS SÀRL (CH) 2014-04-17 — — WO disclosed
WO-2014057115-A1 PYRROLOBENZODIAZEPINE-ANTI-HER2 ANTIBODY CONJUGATES ADC THERAPEUTICS SÀRL (CH) 2014-04-17 — — WO disclosed
EP-2528625-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2013-07-10 — — EP disclosed
WO-2013053871-A1 PYRROLOBENZODIAZEPINES SPIROGEN SÀRL (CH) 2013-04-18 — — WO disclosed
WO-2013053872-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÀRL (CH) 2013-04-18 — — WO disclosed
WO-2013053873-A1 PYRROLOBENZODIAZEPINES SPIROGEN SÀRL (CH) 2013-04-18 — — WO disclosed
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