SCHEMBL28524497

SCHEMBL28524497

FC(F)(F)Cc1ccccc1C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
CHRM5 P08912 4/20 0.38
CHRM3 P20309 4/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 2/20 0.36
CYP2D6 P10635 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR2C P28335 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
SCHEMBL23323082 0.79 MPO (0.41) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL28909603 0.79 HCRTR2 (0.47) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL20170480 0.79 HCRTR2 (0.47) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL28540055 0.79 HCRTR2 (0.47) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL28521097 0.78 MPO (0.40) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL28533797 0.76 MEN1 (0.40) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL28526259 0.76 MEN1 (0.40) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL23323080 0.76 LTA4H (0.44) MPOCHRM5CHRM3CHRM2CHRM1
SCHEMBL457401 0.76 HTR2C (0.56) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL29484307 0.76 HTR2C (0.56) CHRM5CHRM3CHRM2CHRM1CHRM4

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
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed