SCHEMBL30287271

SCHEMBL30287271

[2H]C1([2H])Oc2ccc(CN3CCNC(c4ccccc4C(C)C)C3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CHRM3 P20309 3/20 0.37
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 3/20 0.35
KCNJ1 P48048 2/20 0.35
TRPV6 Q9H1D0 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL25743441 0.93 LMNA (0.51) LMNAKDM4EHSD17B10ALDH1A1CHRM3
SCHEMBL25640538 0.93 LMNA (0.51) LMNAKDM4EHSD17B10ALDH1A1CHRM3
SCHEMBL25640465 0.93 CYP2D6 (0.48) LMNACYP2D6KDM4EHSD17B10ALDH1A1
SCHEMBL23924832 0.84 LMNA (0.36) LMNACYP2D6ALDH1A1TSHRNPSR1
SCHEMBL25743783 0.84 LMNA (0.36) LMNACYP2D6CHRM3NPSR1HTT
SCHEMBL25203235 0.84 LMNA (0.36) LMNACYP2D6ALDH1A1TSHRNPSR1
SCHEMBL23943578 0.83 LMNA (0.37) LMNACYP2D6ALDH1A1CHRM3TSHR
SCHEMBL23924923 0.83 LMNA (0.37) LMNACYP2D6CHRM3KCNJ1
SCHEMBL25190457 0.83 LMNA (0.37) LMNACYP2D6CHRM3KCNJ1
SCHEMBL25354316 0.81 ALDH1A1 (0.41) LMNAKDM4EALDH1A1CHRM3HTT

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-116969936-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116969937-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 CN disclosed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed