SCHEMBL7447923

SCHEMBL7447923

CCCC(=O)N(Cc1nc2c(CCC)ccc(Cl)c2[nH]1)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 6/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NLRP3 Q96P20 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ NOS2 P35228 4/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL7449276 0.83 LTB4R2 (0.43) LTB4R2MEN1KMT2APTGDR2NOS2
SCHEMBL7445917 0.76 LTB4R2 (0.40) LTB4R2MEN1KMT2APTGDR2NOS2
SCHEMBL7456591 0.74 LTB4R2 (0.39) LTB4R2MEN1KMT2APTGDR2USP2
SCHEMBL7447611 0.70 — —
SCHEMBL7451547 0.70 ALDH1A1 (0.36) MEN1KMT2APTGDR2ALDH1A1
SCHEMBL20218879 0.69 MEN1 (0.52) LTB4R2MEN1KMT2APTGDR2NOS2
SCHEMBL7453001 0.69 ALDH1A1 (0.36) MEN1KMT2APTGDR2ALDH1A1
SCHEMBL6635073 0.67 LTB4R2 (0.43) LTB4R2MEN1KMT2APTGDR2TP53
SCHEMBL14229341 0.66 LTB4R2 (0.58) LTB4R2ALDH1A1TP53
SCHEMBL18464228 0.65 LTB4R2 (0.50) LTB4R2MEN1KMT2APTGDR2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541151-A — — 2002-12-03 — — JP claimed
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 — — EP claimed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 — — WO claimed
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 — — EP disclosed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 — — WO disclosed
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