SCHEMBL7580016

SCHEMBL7580016

Cc1cc(N(CC(=O)O)C(=O)c2ccccc2)ccc1NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MRGPRX1 Q96LB2 2/20 0.44
MAPT P10636 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
HDAC1 Q13547 2/20 0.40
ITGA2 P17301 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GFER P55789 2/20 0.40

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
SCHEMBL7429161 0.85 MAPT (0.53) USP2ALDH1A1TSHRHSD17B10MAPT
SCHEMBL24670708 0.79 MEN1 (0.55) USP2ALDH1A1TSHRHSD17B10HTR2A
SCHEMBL7477992 0.78 RAB9A (0.55) USP2ALDH1A1TSHRHSD17B10MAPT
SCHEMBL7475144 0.76 SMN1; SMN2 (0.46) USP2ALDH1A1TSHRMAPTCYP2C19
SCHEMBL7584355 0.76 MAPT (0.54) ALDH1A1HSD17B10MAPTITGB3ITGA2B
SCHEMBL8321062 0.75 KIT (0.48) USP2ALDH1A1HSD17B10HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL29803818 0.74 SLC2A1 (0.52) USP2ALDH1A1TSHRHSD17B10HTR2A
SCHEMBL7445054 0.71 MCHR1 (0.49) USP2ALDH1A1TSHRHSD17B10HTR2A
SCHEMBL7351038 0.71 MCHR1 (0.52) USP2ALDH1A1TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL7437697 0.71 MCHR1 (0.48) USP2ALDH1A1TSHRHSD17B10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed