SCHEMBL28527428

SCHEMBL28527428

CN1CCC(c2ccccc2[C@@H]2CCCN2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
CHRM5 P08912 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
HTR2A P28223 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL28537464 1.00 TAAR1 (0.43) TAAR1MEN1KMT2AHTR6KDM4E
SCHEMBL28527431 1.00 TAAR1 (0.43) TAAR1MEN1KMT2AHTR6KDM4E
SCHEMBL23487422 0.91 KDM4E (0.49) TAAR1MEN1KMT2AKDM4EATM
SCHEMBL29589068 0.85 CHRM5 (0.46) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL29747061 0.85 CHRM5 (0.46) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL22165430 0.85 CHRM5 (0.46) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23323069 0.85 CHRM5 (0.46) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL22165432 0.85 CHRM5 (0.46) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL28526280 0.84 DRD2 (0.43) TAAR1KDM4EATMCHRM1CHRM2
Hydrochloric Acid SCHEMBL31198389 0.83 CHRM5 (0.44) TAAR1MEN1KMT2AKDM4ECHRM5

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