SCHEMBL29588263

SCHEMBL29588263

CC(C)c1ccccc1[C@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM5 P08912 5/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 5/20 0.41
CHRM1 P11229 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PRCP P42785 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL29589340 1.00 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23323218 1.00 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23323076 1.00 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23057911 1.00 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
Hydrochloric Acid SCHEMBL23064486 0.98 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
Hydrochloric Acid SCHEMBL28521128 0.98 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL19171120 0.95 MEN1 (0.41) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL21566690 0.95 MEN1 (0.41) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL25243180 0.95 MEN1 (0.41) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL3088979 0.87 TAAR1 (0.42) TAAR1MEN1KMT2ACHRM5CHRM3

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
CN-114478520-B Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2025-01-10 CN disclosed
CN-114478520-A Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2022-05-13 CN disclosed