SCHEMBL28535227

SCHEMBL28535227

c1ccc(C2CCCCN2)c(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM5 P08912 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
HTR2C P28335 2/20 0.39
MPO P05164 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL22165432 0.94 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL29589068 0.94 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL22165430 0.94 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL29747061 0.94 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL23323069 0.94 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL24737035 0.92 CHRM5 (0.44) MEN1KMT2ACYP2D6CYP2C19POLB
Hydrochloric Acid SCHEMBL31198389 0.92 CHRM5 (0.44) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL28527595 0.91 CHRM5 (0.43) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL28526313 0.89 CHRM5 (0.44) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL28533812 0.82 CHRM5 (0.44) MEN1KMT2ACYP2D6CYP2C19CHRNB2

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
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed