SCHEMBL7933956

SCHEMBL7933956

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccc(N)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.37
SCN4A P35499 1/20 0.37
DRD2 P14416 11/20 0.36
HTRA1 Q92743 1/20 0.36
KDM5A P29375 1/20 0.35
DRD3 P35462 10/20 0.35
OPRM1 P35372 3/20 0.35
STAT6 P42226 1/20 0.35
DRD4 P21917 4/20 0.34
DRD1 P21728 1/20 0.34
CYP51A1 Q16850 1/20 0.34
HSPA5 P11021 1/20 0.34
HSPA8 P11142 1/20 0.34
HSPA9 P38646 1/20 0.34
HSPA2 P54652 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
SCHEMBL7942793 1.00 SCN3A (0.37) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL12552765 0.94 DRD2 (0.37) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL7947251 0.92 HTRA1 (0.36) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL1930657 0.92 HTRA1 (0.36) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL19856956 0.92 HTRA1 (0.36) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL19856962 0.91 STAT6 (0.35) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL19856958 0.91 STAT6 (0.35) SCN3ASCN4ADRD2HTRA1KDM5A
SCHEMBL7934666 0.91 DRD2 (0.40) SCN3ASCN4ADRD2HTRA1DRD3
SCHEMBL19856859 0.90 CYP51A1 (0.40) DRD2HTRA1KDM5ASTAT6CYP51A1
SCHEMBL1550050 0.90 CYP51A1 (0.40) DRD2HTRA1KDM5ASTAT6CYP51A1

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
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed