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SCHEMBL9767694

SCHEMBL9767694

Clc1ccc(-c2ccccc2CC2C(NCc3ccccc3)C3CCN2CC3)cc1Cl.FC(F)(F)c1cccc(-c2ccccc2CC2C(NCc3ccccc3)C3CCN2CC3)c1.c1ccc(CNC2C3CCN(CC3)C2Cc2ccccc2-c2ccco2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 9/20 0.38
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MRGPRX1 Q96LB2 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL9324110 0.86 TACR1 (0.48) TACR1MRGPRX1HTR7BCHEACHE
SCHEMBL9742256 0.86 TACR1 (0.48) TACR1MRGPRX1HTR7BCHEACHE
SCHEMBL9322762 0.84 TACR1 (0.51) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9321856 0.82 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4
Water SCHEMBL9742198 0.74 TACR1 (0.60) TACR1
SCHEMBL9325044 0.73 TACR1 (0.58) TACR1HTR7
SCHEMBL9321907 0.71 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9767697 0.71 TACR1 (0.59) TACR1MRGPRX1
SCHEMBL9321890 0.71 TACR1 (0.56) TACR1
SCHEMBL9325151 0.70 TACR1 (0.51) TACR1CHRNB2CHRNA7CHRNA4BCHE

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