SCHEMBL7486793

SCHEMBL7486793

Cc1cc(C)nc(N2CCN(CCCCO)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SORD Q00796 1/20 0.48
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL11981508 0.89 MEN1 (0.62) HTR1AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7489291 0.82 SORD (0.49) HTR1ASORDKCNH2
SCHEMBL13033015 0.82 SORD (0.54) HTR1AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL807735 0.79 MEN1 (0.54) HTR1AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL9689521 0.79 MEN1 (0.72) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9133699 0.78 CASP1 (0.58) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9690413 0.78 CASP1 (0.58) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9689535 0.78 CASP1 (0.58) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9128566 0.78 CASP1 (0.58) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9689152 0.78 CASP1 (0.58) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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