SCHEMBL19856962

SCHEMBL19856962

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.35
DRD2 P14416 1/20 0.35
CYP51A1 Q16850 1/20 0.35
HTRA1 Q92743 2/20 0.34
SCN4A P35499 1/20 0.34
SCN3A Q9NY46 1/20 0.34
KDM5A P29375 1/20 0.34
ESR1 P03372 1/20 0.33
HSPA5 P11021 1/20 0.33
HSPA8 P11142 1/20 0.33
HSPA9 P38646 1/20 0.33
HSPA2 P54652 1/20 0.33
CCKBR P32239 3/20 0.33
GHSR Q92847 1/20 0.33
PYGL P06737 1/20 0.33
AKR1C3 P42330 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HTR2B P41595 1/20 0.32

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
SCHEMBL19856958 1.00 STAT6 (0.35) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL7947251 0.94 HTRA1 (0.36) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL1930657 0.94 HTRA1 (0.36) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL19856956 0.94 HTRA1 (0.36) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL1550049 0.94 DRD2 (0.37) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL7945339 0.93 STAT6 (0.35) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL1931566 0.93 STAT6 (0.35) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL19856880 0.93 STAT6 (0.35) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL7933956 0.91 SCN3A (0.37) STAT6DRD2CYP51A1HTRA1SCN4A
SCHEMBL7942793 0.91 SCN3A (0.37) STAT6DRD2CYP51A1HTRA1SCN4A

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-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed