SCHEMBL9527410

SCHEMBL9527410

O=C(O)CC1NCCN(CCc2c[nH]c3ccc(Cl)cc23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
HTR2A P28223 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10491419 0.87 TSHR (0.43) SLC6A4MTNR1AMTNR1BLMNAMEN1
SCHEMBL9532459 0.86 HTR2A (0.53) MTNR1AMTNR1BLMNAMEN1MAPT
SCHEMBL9531891 0.82 HTR2A (0.43) MTNR1AMTNR1BLMNAMEN1MAPT
SCHEMBL9528741 0.80 MTNR1A (0.48) MTNR1AMTNR1BMEN1MAPTKMT2A
SCHEMBL9529052 0.78 LMNA (0.44) LMNAMEN1TP53MAPTKMT2A
Acetic Acid SCHEMBL9527415 0.76 MTNR1A (0.51) SLC6A4MTNR1AMTNR1BLMNAMEN1
SCHEMBL10491444 0.75 KMT2A (0.51) SLC6A4MTNR1AMTNR1BMEN1MAPT
SCHEMBL10491380 0.73 SMN1; SMN2 (0.53) LMNAMEN1MAPTKMT2AHTR2A
SCHEMBL10491379 0.72 HTR2A (0.40) MAPTKMT2AHTR2ASMN1; SMN2
SCHEMBL3579326 0.71 RAB9A (0.70) SLC6A4MTNR1AMTNR1BLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287468-B1 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0287468-A2 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1988-10-19 EP disclosed