SCHEMBL29933987

SCHEMBL29933987

Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1CNc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.47
▸ TAS1R1 Q7RTX1 3/20 0.47
▸ TAS1R2 Q8TE23 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TDO2 P48775 1/20 0.40
▸ CNR1 P21554 6/20 0.39
▸ CHRM1 P11229 2/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ GABRA5 P31644 4/20 0.37
▸ RIPK2 O43353 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
SCHEMBL29932961 0.85 CNR1 (0.42) CNR1CHRM1TACR2GABRA5
SCHEMBL29932952 0.85 CNR1 (0.42) CNR1CHRM1TACR2GABRA5
SCHEMBL29933163 0.85 CHRM1 (0.46) CNR1CHRM1TACR2GABRA5
SCHEMBL29934060 0.83 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KDM4EMEN1
SCHEMBL29935184 0.83 KIT (0.50) TAS1R3TAS1R1TAS1R2KDM4EMEN1
SCHEMBL29933247 0.83 CNR1 (0.42) CNR1CHRM1GABRA5
SCHEMBL29933394 0.81 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KDM4EMEN1
SCHEMBL23501594 0.80 POLB (0.44) KDM4E
SCHEMBL29934040 0.80 POLB (0.44) KDM4E
SCHEMBL29934160 0.78 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2KDM4EMEN1

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
CN-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 — — CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 — — CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
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