SCHEMBL9042355

SCHEMBL9042355

CCn1nc(OCc2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.60
▸ CNR1 P21554 5/20 0.60
▸ ACHE P22303 3/20 0.60
▸ SLC6A4 P31645 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GUCY1B2 O75343 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ GUCY1A2 P33402 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ GUCY1A1 Q02108 1/20 0.43

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
SCHEMBL9042252 0.81 ALDH1A1 (0.49) CNR2CNR1ACHESLC6A4KDM4E
SCHEMBL9042105 0.76 KMT2A (0.43) ACHEKDM4EBCHEALDH1A1PDE4A
SCHEMBL9882815 0.73 ALDH1A1 (0.53) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9041922 0.72 ALDH1A1 (0.51) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9043723 0.72 ALDH1A1 (0.51) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL7299091 0.71 TSHR (0.56) CNR2KDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL9042446 0.70 ALDH1A1 (0.49) CNR2KDM4EHTR2CALDH1A1PDE4A
SCHEMBL9041998 0.70 ALDH1A1 (0.49) SLC6A4KDM4ESLC6A2ALDH1A1POLB
SCHEMBL24014642 0.69 CNR1 (0.46) CNR2CNR1ACHESLC6A4KDM4E
SCHEMBL12092607 0.69 CNR2 (0.76) CNR2CNR1ACHESLC6A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 — — EP claimed
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