SCHEMBL7688328

SCHEMBL7688328

CCOc1cc(C(=O)CCCC2CCCCC2)c(OCC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
HTR4 Q13639 3/20 0.50
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LDLR P01130 1/20 0.39
FAAH O00519 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL7681834 0.94 NPC1 (0.46) ACHEHTR4TSHRLMNAGAA
SCHEMBL7688492 0.91 ACHE (0.44) ACHEHTR4TSHRLMNAGAA
SCHEMBL2482136 0.85 NPC1 (0.50) ACHEHTR4LMNANPC1RAB9A
SCHEMBL7682170 0.85 NPC1 (0.50) ACHEHTR4LMNANPC1RAB9A
SCHEMBL2481231 0.84 NPC1 (0.48) ACHEHTR4TSHRNPC1RAB9A
SCHEMBL19441890 0.75 HPGD (0.43) ACHEHTR4LMNANPC1RAB9A
SCHEMBL8160657 0.74 LMNA (0.44) TSHRLMNAGAAMAPTHTT
SCHEMBL6703732 0.74 HTR4 (0.58) ACHEHTR4TSHRNPC1RAB9A
SCHEMBL19441888 0.74 HPGD (0.44) ACHEHTR4NPC1RAB9AHPGD
SCHEMBL27598401 0.72 HTR4 (0.48) ACHEHTR4TSHRNPC1RAB9A

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