SCHEMBL7373607

SCHEMBL7373607

Cc1cc(C(=O)N(C)c2ccccc2C)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 11/20 0.44
HSD17B2 P37059 10/20 0.44
ALDH1A1 P00352 1/20 0.44
GPBAR1 Q8TDU6 3/20 0.43
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7378235 0.85 GPBAR1 (0.45) HSD17B1HSD17B2ALDH1A1GPBAR1TSHR
SCHEMBL7372957 0.83 ALDH1A1 (0.47) HSD17B1HSD17B2ALDH1A1GPBAR1SIGMAR1
SCHEMBL384544 0.79 MAPT (0.46) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3807892 0.79 ALDH1A1 (0.51) HSD17B1HSD17B2ALDH1A1
SCHEMBL7408912 0.77 TSHR (0.56) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL23367914 0.76 GPBAR1 (0.47) HSD17B1HSD17B2ALDH1A1GPBAR1
SCHEMBL7371730 0.75 CRHBP (0.51) ALDH1A1GPBAR1TSHRMAPTSMN1; SMN2
SCHEMBL8300884 0.74 CASP6 (0.49) HSD17B1HSD17B2ALDH1A1TSHRSMN1; SMN2
SCHEMBL20041120 0.72 ALDH1A1 (0.59) HSD17B1HSD17B2ALDH1A1TSHRTP53
SCHEMBL5981277 0.72 GPBAR1 (0.65) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed