SCHEMBL8938458

SCHEMBL8938458

CC(=O)Oc1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
OPRD1 P41143 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM3 P20309 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
SCHEMBL8938509 0.89 BCHE (0.45) HRH3
SCHEMBL8938400 0.88 HRH3 (0.44) HRH3OPRD1KMT2ACHRM3
SCHEMBL8938550 0.85 HTR2A (0.48)
SCHEMBL8938356 0.85 CCR5 (0.46) HRH3KMT2A
SCHEMBL8938514 0.84 HRH3 (0.42) HRH3
SCHEMBL8938361 0.84 GBA1 (0.41) HRH3
SCHEMBL8938187 0.84 CCR5 (0.47) HRH3
SCHEMBL8938422 0.83 OPRD1 (0.44) HRH3OPRD1CHRM3
SCHEMBL8938364 0.83 KDM4E (0.41) HRH3KMT2A
SCHEMBL8938244 0.83 OPRD1 (0.47) HRH3OPRD1CHRM3

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