SCHEMBL30288077

SCHEMBL30288077

O=C(NCc1ccc(Cl)cc1)NC1CC2(CC(CC(=O)N3CCCC3CO)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.47
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PPID Q08752 1/20 0.37
▸ PPIG Q13427 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
SCHEMBL26764376 1.00 EPHX1 (0.51) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL26776849 0.89 EPHX1 (0.57) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL26633789 0.83 EPHX1 (0.55) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL24011134 0.80 EPHX1 (0.61) EPHX1RAB9ANPC1TP53DRD4
SCHEMBL30634137 0.79 EPHX1 (0.51) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL30288079 0.78 EPHX1 (0.59) EPHX1RAB9ANPC1TP53DRD4
SCHEMBL26098540 0.75 CHRM1 (0.53) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL23747606 0.75 CHRM1 (0.53) EPHX1HRH3RAB9ANPC1TP53
SCHEMBL24011142 0.75 EPHX1 (0.60) EPHX1RAB9ANPC1TP53DRD4
SCHEMBL24011297 0.73 EPHX1 (0.55) EPHX1RAB9ANPC1TP53DRD4

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
CN-115843295-A NAMPT modulators 赛特凯恩蒂克公司 2023-03-24 — — CN disclosed
EP-4146640-A2 NAMPT MODULATORS Cytokinetics, Inc. (US) 2023-03-15 — — EP disclosed
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