SCHEMBL7966866

SCHEMBL7966866

COc1ccc(Cn2c(C(N)=O)nc3c(C(=O)O)c(C)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.46
P2RX3 P56373 1/20 0.45
PLA2G2A P14555 4/20 0.43
ERCC5 P28715 3/20 0.43
TSPO P30536 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DCTPP1 Q9H773 3/20 0.42
FEN1 P39748 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL7954430 0.81 PARP1 (0.52) CCR2TSPOKDM4EALDH1A1GLA
SCHEMBL1081597 0.80 PLA2G2A (0.45) PLA2G2AALDH1A1
SCHEMBL7966864 0.76 PARP1 (0.51) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL1080660 0.70 EGLN3 (0.47) PLA2G2AKDM4EALDH1A1GLAGAA
SCHEMBL7965376 0.69 TSPO (0.54) CCR2TSPOKDM4EALDH1A1USP2
SCHEMBL7483323 0.69 TSPO (0.47) CCR2TSPOKDM4EALDH1A1GLA
SCHEMBL11419391 0.68 ALDH1A1 (0.45) CCR2TSPOKDM4EALDH1A1GLA
SCHEMBL1080943 0.67 TNF (0.47) PLA2G2AKDM4EALDH1A1GAAHPGD
SCHEMBL8601853 0.67 DCTPP1 (0.45) CCR2P2RX3ERCC5KDM4EALDH1A1
SCHEMBL2579724 0.65 KLKB1 (0.43) CCR2P2RX3ERCC5KDM4EALDH1A1

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