SCHEMBL8880422

SCHEMBL8880422

NC(=O)C(CN1CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.47
CHRM1 P11229 3/20 0.47
CYP2D6 P10635 3/20 0.47
OPRM1 P35372 3/20 0.47
HTR1A P08908 2/20 0.47
KCNH2 Q12809 2/20 0.47
LMNA P02545 2/20 0.47
CHRM3 P20309 8/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 5/20 0.46
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
Fenpipramide SCHEMBL149504 0.84 CHRM2 (0.60) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL219257 0.84 CHRM2 (0.60) CHRM2CHRM1CYP2D6OPRM1HTR1A
Fenpipramide SCHEMBL11716116 0.84 OPRM1 (0.56) CHRM2CHRM1CYP2D6OPRM1HTR1A
Fenpipramide SCHEMBL7558279 0.83 CHRM2 (0.59) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL9670170 0.78 SIGMAR1 (0.55) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL9192560 0.75 CYP2D6 (0.49) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL9190061 0.74 CYP2D6 (0.51) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL6053467 0.74 NPSR1 (0.56) CHRM2CHRM1CYP2D6OPRM1HTR1A
SCHEMBL11542590 0.74 CYP2D6 (0.50) CHRM2CHRM1CYP2D6OPRM1HTR1A
Norpipanone SCHEMBL25085 0.74 OPRM1 (0.75) CHRM2CHRM1CYP2D6OPRM1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607950-A IRRITABLE BOWEL SYNDROME PFIZER INC. (US) 1997-03-04 US disclosed
EP-0508988-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-03-02 EP disclosed
EP-0508988-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-10-21 EP disclosed
WO-1991010647-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed