SCHEMBL7429484

SCHEMBL7429484

[c]1ccc(C2CCCN2)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA7 P36544 2/20 0.40
CHRM5 P08912 5/20 0.38
CHRM3 P20309 5/20 0.38
CHRM2 P08172 5/20 0.38
CHRM1 P11229 4/20 0.38
CHRM4 P08173 4/20 0.38
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL1030220 0.72 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL25295829 0.72
SCHEMBL1030421 0.72 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL1031980 0.72 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL30824585 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL3926825 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL29977611 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL105810 0.71 HRH4 (0.39) MEN1KMT2A
SCHEMBL20707 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL3925606 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRM5CHRM3

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-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed