SCHEMBL7965376

SCHEMBL7965376

COc1ccc(Cn2c(C(=O)N(C)C)nc3c(C(=O)O)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.54
FABP4 P15090 1/20 0.46
DCTPP1 Q9H773 1/20 0.45
TBXA2R P21731 1/20 0.45
CHRM1 P11229 1/20 0.44
MAPT P10636 2/20 0.43
PPARG P37231 4/20 0.43
CCR2 P41597 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
P2RX4 Q99571 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7966547 0.91 TSPO (0.54) TSPODCTPP1TBXA2RMAPTKDM4E
SCHEMBL7954430 0.87 PARP1 (0.52) TSPOFABP4DCTPP1TBXA2RCHRM1
SCHEMBL7483323 0.85 TSPO (0.47) TSPOFABP4DCTPP1TBXA2RCHRM1
SCHEMBL8601846 0.80 PPARG (0.48) TSPOFABP4DCTPP1TBXA2RCHRM1
SCHEMBL7966864 0.77 PARP1 (0.51) TSPODCTPP1USP2TP53KDM4E
SCHEMBL7427558 0.77 TSPO (0.47) TSPODCTPP1TBXA2RMAPTUSP2
SCHEMBL7966866 0.69 CCR2 (0.46) TSPODCTPP1CCR2USP2TP53
SCHEMBL6953212 0.69 PPARG (0.50) DCTPP1TBXA2RPPARGUSP2KDM4E
SCHEMBL3116842 0.68 CHRM1 (0.52) FABP4CHRM1MAPTUSP2TP53
SCHEMBL8600049 0.68 KDM4E (0.51) TSPODCTPP1TBXA2RPPARGUSP2

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed