SCHEMBL9258551

SCHEMBL9258551

CCn1c2ccccc2n2c(C(O)C(=O)N(C)C)c(-c3ccc(C)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.37
▸ HPGD P15428 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALB P02768 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL9258312 0.86 ADORA1 (0.38) HPGDKDM4EALDH1A1CYP3A4KMT2A
SCHEMBL9261260 0.79 GABRA1 (0.52) TRPM2HPGDKDM4ECYP3A4LMNA
SCHEMBL9257774 0.75 ADORA3 (0.43) KDM4EALDH1A1FAAH
SCHEMBL9256941 0.75 LMNA (0.46) TRPM2HPGDKDM4EALDH1A1CYP3A4
SCHEMBL9416617 0.74 ADORA1 (0.39) HPGDKDM4EALDH1A1CYP3A4LMNA
SCHEMBL9264825 0.74 LMNA (0.41) TRPM2HPGDKDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9260218 0.74 ADORA1 (0.38) HPGDKDM4EALDH1A1CYP3A4LMNA
SCHEMBL8864498 0.73 ADORA2B (0.36) TRPM2HPGDKDM4EALDH1A1CYP3A4
SCHEMBL9257773 0.72 ADORA2B (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9264420 0.71 CXCR3 (0.39) HPGDKDM4EALDH1A1MEN1KMT2A

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
US-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 — — US disclosed
EP-0607076-A1 9H-Imidazo 1,2-a benzimidazole derivatives with GABA activity SYNTHELABO (FR) 1994-07-20 — — EP disclosed
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