SCHEMBL8938310

SCHEMBL8938310

N#Cc1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.45
CCR2 P41597 1/20 0.45
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
TACR1 P25103 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL8938621 0.85 SIGMAR1 (0.41) HRH3KCNH2
SCHEMBL8938514 0.85 HRH3 (0.42) HRH3
SCHEMBL8938361 0.85 GBA1 (0.41) HRH3KCNH2
SCHEMBL8938226 0.85 HRH3 (0.40) HRH3KCNH2
SCHEMBL8938317 0.84 HRH3 (0.40) HRH3KCNH2
SCHEMBL8938542 0.83 HRH3 (0.49) HRH3CCR2KCNH2
SCHEMBL8938364 0.82 KDM4E (0.41) HRH3KCNH2LMNATSHR
SCHEMBL8938422 0.81 OPRD1 (0.44) HRH3
SCHEMBL8938400 0.81 HRH3 (0.44) HRH3LMNA
SCHEMBL8938458 0.79 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 5 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