SCHEMBL7682170

SCHEMBL7682170

COc1cc(C(=O)CCCC2CCCCCC2)c(OC)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTR4 Q13639 11/20 0.48
ACHE P22303 9/20 0.48
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL2482136 1.00 NPC1 (0.50) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL2481231 0.99 NPC1 (0.48) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL7681834 0.92 NPC1 (0.46) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL6703732 0.86 HTR4 (0.58) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL7688328 0.85 ACHE (0.50) NPC1RAB9AHTR4ACHEKDM4E
SCHEMBL27598401 0.84 HTR4 (0.48) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL7688094 0.84 HTR4 (0.61) NPC1RAB9AHTR4ACHESIGMAR1
SCHEMBL7688139 0.81 NPC1 (0.67) NPC1RAB9AHTR4ACHEALDH1A1
SCHEMBL7688492 0.78 ACHE (0.44) NPC1RAB9AHTR4ACHEALDH1A1
SCHEMBL2481341 0.78 HTR4 (0.66) HTR4ACHESIGMAR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed