SCHEMBL9767402

SCHEMBL9767402

CCCc1ccccc1CC1C(NCc2ccccc2)C2CCN1CC2.O=C(O)c1ccc(-c2ccccc2CC2C(NCc3ccccc3)C3CCN2CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.47
CHRNA7 P36544 7/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
FOLH1 Q04609 1/20 0.36

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
SCHEMBL9322570 0.93 TACR1 (0.51) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9323198 0.86 TACR1 (0.60) TACR1
SCHEMBL9322808 0.86 TACR1 (0.60) TACR1
SCHEMBL9325106 0.85 TACR1 (0.55) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9767401 0.85 TACR1 (0.59) TACR1
SCHEMBL9321890 0.79 TACR1 (0.56) TACR1
SCHEMBL9324189 0.78 TACR1 (0.53) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9322762 0.76 TACR1 (0.51) TACR1CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9323145 0.75 TACR1 (0.56) TACR1
SCHEMBL9321776 0.75 TACR1 (0.52) TACR1CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed