SCHEMBL7366233

SCHEMBL7366233

OC(Cc1ccncc1)(Cc1ccncc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
RAB9A P51151 1/20 0.58
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
FDPS P14324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 2/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP2D6 P10635 1/20 0.39
NAMPT P43490 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
KCNN4 O15554 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL30211295 0.90 USP2 (0.51) USP2RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL6164152 0.85 USP2 (0.58) USP2RAB9ACYP2C9CYP2C19FDPS
SCHEMBL7439189 0.85 USP2 (0.58) USP2RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL15405153 0.81 CYP1A2 (0.73) CYP2C9CYP2C19CYP1A2FDPSCYP19A1
SCHEMBL4477400 0.77 RECQL (0.49) USP2RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL27988784 0.77 CYP1A2 (0.73) USP2RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL2309836 0.74 USP2 (1.00) USP2RAB9AL3MBTL1CYP19A1LTA4H
SCHEMBL7398340 0.72 USP2 (0.66) USP2RAB9ACYP2C9CYP2C19L3MBTL1
SCHEMBL25039935 0.71 RAB9A (0.42) USP2RAB9AFDPSL3MBTL1CYP3A4
SCHEMBL11684104 0.71 USP2 (0.70) USP2RAB9AL3MBTL1CYP19A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296479-A Treating physiological or drug-induced psychosis or dyskinesia THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-22 US disclosed
US-5266572-A Antipsychotic 1-cycloalkylpiperidines THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-30 US disclosed
US-5243048-A Treatment of drug-induced or physiological psychosis or dyskinesia; side effect reduction THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
EP-0490962-A4 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES 1993-03-03 EP disclosed
EP-0490962-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-24 EP disclosed
US-5109002-A ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-28 US disclosed
WO-1991003243-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO disclosed