SCHEMBL9767393

SCHEMBL9767393

CCc1ccc(CN[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.83
NPC1 O15118 1/20 0.64
MTOR P42345 1/20 0.64
RAB9A P51151 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
THPO P40225 1/20 0.64

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
SCHEMBL9767397 1.00 TACR1 (0.83) TACR1NPC1MTORRAB9ATP53
SCHEMBL6135372 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL28229229 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL4188315 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9321839 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL6135549 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL28861521 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9321845 0.91 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9323401 0.90 TACR1 (0.83) TACR1NPC1MTORRAB9ATP53
SCHEMBL9323409 0.90 TACR1 (0.83) 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 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