SCHEMBL9671867

SCHEMBL9671867

CC(=O)Nc1ccc2c(=O)n(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=S)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ HPGD P15428 3/20 0.71
▸ CYP2D6 P10635 3/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ HTR1A P08908 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ DRD2 P14416 2/20 0.71
▸ HTR2C P28335 2/20 0.71
▸ TSHR P16473 2/20 0.71
▸ ALDH1A1 P00352 6/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ DRD4 P21917 1/20 0.58

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
SCHEMBL9670899 0.95 HTR2A (0.64) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL9673650 0.92 HTR2A (0.70) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL9673587 0.87 HTR2A (0.63) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL3430907 0.86 HTR2A (0.78) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL9672793 0.85 HTR2A (0.77) HTR2ACYP3A4HPGDCYP2D6CYP1A2
SCHEMBL9671506 0.85 HTR2A (0.70) HTR2ACYP3A4HPGDCYP2D6CYP1A2
Altanserin SCHEMBL404849 0.83 HTR2A (1.00) HTR2ACYP3A4HPGDCYP2D6CYP1A2
Altanserin SCHEMBL30136524 0.83 HTR2A (1.00) HTR2ACYP3A4HPGDCYP2D6CYP1A2
Altanserin SCHEMBL30136526 0.83 HTR2A (1.00) HTR2ACYP3A4HPGDCYP2D6CYP1A2
Altanserin SCHEMBL12629110 0.83 HTR2A (1.00) HTR2ACYP3A4HPGDCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184258-B1 NOVEL DERIVATIVES OF HYDROXY- OR AMINO-SUBSTITUTED (PIPERIDINYLALKYL)QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-06 — — EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 — — US disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 — — EP disclosed
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