SCHEMBL7593993

SCHEMBL7593993

CC1C(NC(=O)c2ncc(Oc3ccc(F)cc3)o2)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.39
CHRNA7 P36544 8/20 0.39
CHRNA4 P43681 8/20 0.39
ACKR3 P25106 3/20 0.38
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL7122322 1.00 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4ACKR3HRH3
SCHEMBL7118130 0.90 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4ACKR3
SCHEMBL7130636 0.90 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4HRH3SMN1; SMN2
SCHEMBL7125523 0.90 CHRNA7 (0.39) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL7129413 0.90 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4ACKR3KCNH2
SCHEMBL7225803 0.89 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4ACKR3HRH3
SCHEMBL7124809 0.87 ACKR3 (0.43) CHRNB2CHRNA7CHRNA4ACKR3KCNH2
SCHEMBL7118349 0.87 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4ACKR3HRH3
SCHEMBL7220190 0.86 CHRNA7 (0.40) CHRNB2CHRNA7CHRNA4HRH3KCNH2
SCHEMBL6881256 0.85 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed