SCHEMBL4626080

SCHEMBL4626080

CCC1CN(CCc2cccc(OC(F)(F)F)c2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.47
PRMT6 Q96LA8 3/20 0.47
SIGMAR1 Q99720 1/20 0.44
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DAO P14920 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4626392 0.80 SLC6A4 (0.55) CARM1PRMT6SIGMAR1HRH3CHRM3
SCHEMBL3961500 0.73 SLC6A2 (0.73)
SCHEMBL4701986 0.73 CARM1 (0.66) CARM1PRMT6SIGMAR1HRH3
SCHEMBL13859074 0.72 CARM1 (0.41) CARM1PRMT6DRD4HRH3
Hydrochloric Acid SCHEMBL3951933 0.72 SLC6A2 (0.47)
Hydrochloric Acid SCHEMBL3955806 0.72 SLC6A2 (0.74)
Hydrochloric Acid SCHEMBL1298636 0.70 SIGMAR1 (0.69) SIGMAR1
SCHEMBL1332050 0.70 KCNH2 (0.64) SIGMAR1KMT2A
SCHEMBL32680870 0.70 CHRM3 (0.63) SIGMAR1DRD4CHRM3
SCHEMBL4222828 0.70 CHRM3 (0.63) SIGMAR1DRD4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 EP disclosed
EP-1678154-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-07-12 EP disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed