SCHEMBL7175492

SCHEMBL7175492

CC1C(NC(=O)c2ccc(-c3ccc(F)cn3)[nH]2)C2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.38
CHRNA4 P43681 10/20 0.38
CHRNA7 P36544 9/20 0.38
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
MCHR1 Q99705 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 3/20 0.32
ACKR3 P25106 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
SCHEMBL7175488 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7119650 0.85 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7PDE10A
SCHEMBL7595144 0.84 PTPN1 (0.49) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7117126 0.84 PTPN1 (0.49) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7114589 0.84 CHRNA7 (0.42) CHRNB2CHRNA4CHRNA7USP30
SCHEMBL7582167 0.82 PTPN1 (0.35) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7218204 0.82 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7
SCHEMBL7128777 0.82 PTPN1 (0.35) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7225519 0.81 PTPN1 (0.38) CHRNB2CHRNA4CHRNA7PTPN1PTPN11
SCHEMBL7125448 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7PTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP claimed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed