SCHEMBL6703732

SCHEMBL6703732

COc1cc(C(=O)CCCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.58
ACHE P22303 12/20 0.58
SIGMAR1 Q99720 1/20 0.58
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7688094 0.95 HTR4 (0.61) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL2481341 0.92 HTR4 (0.66) HTR4ACHESIGMAR1TSHRMEN1
SCHEMBL2482136 0.86 NPC1 (0.50) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL7682170 0.86 NPC1 (0.50) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL2481231 0.85 NPC1 (0.48) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL27598401 0.83 HTR4 (0.48) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL7681834 0.81 NPC1 (0.46) HTR4ACHESIGMAR1NPC1RAB9A
SCHEMBL7688139 0.80 NPC1 (0.67) HTR4ACHENPC1RAB9AMEN1
SCHEMBL6699852 0.79 ACHE (0.47) HTR4ACHESIGMAR1TSHRALDH1A1
SCHEMBL6702783 0.79 HTR4 (0.47) HTR4ACHESIGMAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed
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