SCHEMBL9322896

SCHEMBL9322896

Fc1ccccc1C[C@H]1[C@H](NCc2ccccc2)C2CCN1CC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.60
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ATM Q13315 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL9322906 1.00 TACR1 (0.60) TACR1CHRNB2CHRNA7CHRNA4ATM
SCHEMBL9322903 1.00 TACR1 (0.60) TACR1CHRNB2CHRNA7CHRNA4ATM
SCHEMBL5203589 0.85 TACR1 (0.69) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9322963 0.84 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9322808 0.83 TACR1 (0.60) TACR1
SCHEMBL9323198 0.83 TACR1 (0.60) TACR1
SCHEMBL9321863 0.82 TACR1 (0.76) TACR1CYP2D6
SCHEMBL9321850 0.82 TACR1 (0.76) TACR1CYP2D6
Hydrochloric Acid SCHEMBL9323145 0.82 TACR1 (0.56) TACR1NPC1MTORRAB9ATP53
SCHEMBL9321890 0.82 TACR1 (0.56) TACR1NPC1MTORRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP claimed
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP disclosed
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US disclosed