SCHEMBL28535049

SCHEMBL28535049

CN1CCN(c2ccccc2C2CCCN2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.45
▸ DRD2 P14416 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.42
▸ NCF1 P14598 1/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CHRM5 P08912 4/20 0.37
▸ CHRM3 P20309 4/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 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
SCHEMBL24737114 0.88 KEAP1 (0.41) TAAR1KMT2AMAPK1MEN1CHRM5
SCHEMBL23323167 0.84 TAAR1 (0.37) DRD2DRD3TAAR1KMT2AMEN1
SCHEMBL28907793 0.82 ACHE (0.40) TAAR1KMT2ALMNAMAPTMEN1
SCHEMBL23487421 0.82 CHRM5 (0.36) TAAR1KMT2AMEN1CHRM5CHRM3
SCHEMBL28533132 0.82 PIM1 (0.37) TAAR1KMT2AMEN1CHRM5CHRM3
SCHEMBL24853469 0.80 TAAR1 (0.40) DRD2DRD3TAAR1KMT2AMEN1
SCHEMBL28527431 0.79 TAAR1 (0.43) TAAR1KMT2AMEN1CHRM5CHRM3
SCHEMBL28527428 0.79 TAAR1 (0.43) TAAR1KMT2AMEN1CHRM5CHRM3
SCHEMBL28537464 0.79 TAAR1 (0.43) TAAR1KMT2AMEN1CHRM5CHRM3
SCHEMBL28907801 0.78 GPR119 (0.48) LMNAMAPTMAPK1KDM4ETP53

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
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