SCHEMBL7375602

SCHEMBL7375602

COc1ccc(N(C(=O)c2ccc(N)cc2)C2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.57
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
CYP2D6 P10635 6/20 0.49
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC6A9 P48067 1/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7368767 0.83 MEN1 (0.61) TRPM8CHRM2CHRM3CYP2D6NPC1
SCHEMBL29275128 0.78 TRPM8 (0.58) TRPM8CHRM2CHRM3CYP2D6SLC6A9
SCHEMBL10455127 0.76 LMNA (0.60) TRPM8SLC6A9NPC1MAPK1KDM4E
SCHEMBL7376311 0.76 HSD17B1 (0.57) NPC1MAPK1KDM4EHPGDRAB9A
SCHEMBL7378825 0.76 RAB9A (0.62) TRPM8CHRM2CHRM3NPC1RAB9A
SCHEMBL11406234 0.75 KMT2A (0.64) TRPM8SLC6A9NPC1HPGDRAB9A
SCHEMBL10454995 0.75 KMT2A (0.64) TRPM8SLC6A9NPC1HPGDRAB9A
SCHEMBL2114776 0.74 CHRM2 (0.54) TRPM8CHRM2CHRM3NPC1KDM4E
SCHEMBL11807077 0.74 LMNA (0.50) TRPM8CHRM2CHRM3OPRD1NPC1
SCHEMBL8428737 0.74 TRPM8 (0.51) TRPM8CHRM2CHRM3OPRD1NPC1

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