SCHEMBL31133788

SCHEMBL31133788

Cn1c(=O)c(C#N)c(N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)c2nc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SCD O00767 4/20 0.42
▸ DGKA P23743 2/20 0.40
▸ DGKZ Q13574 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ACSL1 P33121 1/20 0.38
▸ CHRM4 P08173 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL23526945 1.00 MEN1 (0.43) MEN1KMT2ASCDDGKADGKZ
SCHEMBL23527049 0.90 DGKA (0.40) SCDDGKADGKZCHRM4
SCHEMBL31133713 0.90 DGKZ (0.43) SCDDGKADGKZCHRM4EPHX2
SCHEMBL23526830 0.90 DGKZ (0.43) SCDDGKADGKZCHRM4EPHX2
SCHEMBL23527107 0.89 GPR6 (0.43) SCDDGKADGKZCHRM4
SCHEMBL31133689 0.89 GPR6 (0.43) SCDDGKADGKZCHRM4
SCHEMBL31133702 0.89 DGKA (0.44) SCDDGKADGKZCHRM4EPHX2
SCHEMBL23527014 0.89 DGKA (0.44) SCDDGKADGKZCHRM4EPHX2
SCHEMBL23527156 0.88 DGKA (0.41) MEN1KMT2ASCDDGKADGKZ
SCHEMBL23527221 0.88 CHRM4 (0.47) SCDDGKADGKZACSL1CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 — — EP claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN disclosed
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