SCHEMBL8938541

SCHEMBL8938541

CNC(=O)NCc1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.46
CYP2D6 P10635 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 2/20 0.40
GRM5 P41594 1/20 0.39
GRM7 Q14831 1/20 0.39
GRM3 Q14832 1/20 0.39
CCR5 P51681 1/20 0.39
CASR P41180 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
SCHEMBL8938550 0.90 HTR2A (0.48) CYP2D6OPRK1ALDH1A1SMN1; SMN2PTGER4
SCHEMBL8938317 0.87 HRH3 (0.40) CYP2D6
SCHEMBL8938244 0.86 OPRD1 (0.47) OPRD1ALDH1A1SMN1; SMN2GRM5GRM7
SCHEMBL8938509 0.85 BCHE (0.45) GRM5GRM7GRM3
SCHEMBL8938187 0.83 CCR5 (0.47) ALDH1A1SMN1; SMN2CCR5
SCHEMBL8938400 0.83 HRH3 (0.44) OPRD1
SCHEMBL8938356 0.82 CCR5 (0.46) ALDH1A1CCR5
SCHEMBL8938361 0.81 GBA1 (0.41) CYP2D6
SCHEMBL8938514 0.81 HRH3 (0.42)
SCHEMBL8938458 0.81 HRH3 (0.42) OPRD1

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 6 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
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 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