SCHEMBL7280357

SCHEMBL7280357

O=C(C[C@@H](Cc1ccccc1)C(=O)O)NCCCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7539935 0.91 KMT2A (0.47) LMNAKMT2ACYP1A2SMN1; SMN2CYP2D6
SCHEMBL7539920 0.91 KMT2A (0.47) LMNAKMT2ACYP1A2SMN1; SMN2CYP2D6
SCHEMBL7302260 0.83 KDM4E (0.55) LMNAKMT2ASMN1; SMN2MAPTHPGD
SCHEMBL7304561 0.79 LMNA (0.58) LMNAKMT2AMAPTTSHRALDH1A1
SCHEMBL9554486 0.76 CPA1 (0.60) LMNAKMT2ACYP1A2TSHRCPA1
SCHEMBL9554490 0.76 CPA1 (0.60) LMNAKMT2ACYP1A2TSHRCPA1
SCHEMBL2843465 0.76 SMN1; SMN2 (0.58) LMNACYP1A2SMN1; SMN2HPGDALOX15
SCHEMBL10571526 0.76 HPGD (0.68) HPGDALOX15TDP1POLBALDH1A1
SCHEMBL2804430 0.75 CPA1 (0.63) LMNACYP1A2CPA1CPB1CPA3
SCHEMBL18381340 0.75 SMN1; SMN2 (0.72) LMNAKMT2ACYP1A2SMN1; SMN2MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed