SCHEMBL8938550

SCHEMBL8938550

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.45
OPRK1 P41145 1/20 0.45
PTGER4 P35408 2/20 0.41

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
SCHEMBL8938541 0.90 OPRD1 (0.46) ALDH1A1SMN1; SMN2CYP2D6OPRK1PTGER4
SCHEMBL8938356 0.88 CCR5 (0.46) HTR2AALDH1A1
SCHEMBL8938400 0.87 HRH3 (0.44)
SCHEMBL8938317 0.86 HRH3 (0.40) CYP2D6
SCHEMBL8938187 0.85 CCR5 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL8938458 0.85 HRH3 (0.42)
SCHEMBL8938244 0.84 OPRD1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL8938361 0.83 GBA1 (0.41) CYP2D6
SCHEMBL8938514 0.83 HRH3 (0.42)
SCHEMBL8938422 0.82 OPRD1 (0.44) OPRK1

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