SCHEMBL21751544

SCHEMBL21751544

COC(=O)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCCCC3)C[C@@H]2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.44
SLC6A2 P23975 1/20 0.44
CHKA P35790 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BCL2 P10415 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
USP14 P54578 1/20 0.37
DRD2 P14416 1/20 0.36
TBXA2R P21731 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
SCHEMBL23165399 1.00 SLC6A3 (0.44) SLC6A3SLC6A2CHKAMAPTALDH1A1
SCHEMBL21751694 0.88 BCL2L1 (0.51) GAABCL2L1BCL2DRD2
SCHEMBL21751607 0.86 BCL2L1 (0.51) MAPTALDH1A1TSHRSMN1; SMN2BCL2L1
SCHEMBL23164961 0.86 BCL2L1 (0.51) MAPTALDH1A1TSHRSMN1; SMN2BCL2L1
SCHEMBL21751667 0.86 BCL2L1 (0.59) MAPTALDH1A1TSHRSMN1; SMN2BCL2L1
SCHEMBL21751641 0.85 BCL2L1 (0.49) CHKAMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL28447129 0.76 BCL2L1 (0.62) BCL2L1BCL2
SCHEMBL21751591 0.76 BCL2L1 (0.62) BCL2L1BCL2
SCHEMBL29321180 0.75 BCL2L1 (0.55) MAPTALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL30857624 0.75 BCL2L1 (0.55) MAPTALDH1A1TSHRSMN1; SMN2GAA

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
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 EP disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed