SCHEMBL8938244

SCHEMBL8938244

CNC(=O)c1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.47
OPRM1 P35372 1/20 0.47
HRH3 Q9Y5N1 3/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
CHRM3 P20309 1/20 0.41
GRM5 P41594 1/20 0.40
GRM7 Q14831 1/20 0.40
GRM3 Q14832 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8938362 0.90 HTR1A (0.44) OPRD1OPRM1
SCHEMBL8938187 0.89 CCR5 (0.47) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8938400 0.89 HRH3 (0.44) OPRD1HRH3CHRM3
SCHEMBL8938422 0.87 OPRD1 (0.44) OPRD1OPRM1HRH3CHRM3
SCHEMBL8938509 0.86 BCHE (0.45) HRH3GRM5GRM7GRM3
SCHEMBL8938541 0.86 OPRD1 (0.46) OPRD1GRM5GRM7GRM3ALDH1A1
SCHEMBL8938317 0.84 HRH3 (0.40) OPRM1HRH3
SCHEMBL8938550 0.84 HTR2A (0.48) ALDH1A1SMN1; SMN2
SCHEMBL8938356 0.84 CCR5 (0.46) HRH3ALDH1A1
SCHEMBL8938514 0.83 HRH3 (0.42) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed