SCHEMBL7368767

SCHEMBL7368767

COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TRPM8 Q7Z2W7 2/20 0.53
CHRM2 P08172 2/20 0.52
CHRM3 P20309 2/20 0.52
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP2D6 P10635 2/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MITF O75030 1/20 0.43

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
SCHEMBL7375602 0.83 TRPM8 (0.57) TRPM8CHRM2CHRM3CYP2D6RAB9A
SCHEMBL7375652 0.78 ALDH1A1 (0.55) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL11467828 0.77 MAOA (0.53) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL2383571 0.76 CHRM2 (0.50) MEN1KMT2ACHRM2CHRM3MAPT
SCHEMBL20679710 0.74 MAOA (0.53) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL4493653 0.74 KMT2A (0.85) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL29275128 0.74 TRPM8 (0.58) MEN1KMT2ATRPM8CHRM2CHRM3
SCHEMBL24497087 0.74 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4689851 0.73 MAPK1 (0.67) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL29702410 0.72 MAOA (0.53) MEN1KMT2AMAOAMAOBMAPT

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