SCHEMBL19856970

SCHEMBL19856970

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
STAT6 P42226 1/20 0.41
KDM5A P29375 1/20 0.38
CYP51A1 Q16850 1/20 0.38
HSPA5 P11021 1/20 0.38
HSPA8 P11142 1/20 0.38
HSPA9 P38646 1/20 0.38
HSPA2 P54652 1/20 0.38
HTRA1 Q92743 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
AKR1C3 P42330 2/20 0.37
ELANE P08246 1/20 0.37
CNR2 P34972 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
PYGL P06737 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1930560 1.00 DRD2 (0.41) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL1550540 0.90 DRD2 (0.40) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL1550050 0.89 CYP51A1 (0.40) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL19856859 0.89 CYP51A1 (0.40) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL1550472 0.89 KDM5A (0.40) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL1549976 0.89 CYP51A1 (0.40) DRD2STAT6KDM5ACYP51A1HSPA5
SCHEMBL1931738 0.89 DRD2 (0.47) DRD2STAT6CYP51A1HRH4AKR1C3
SCHEMBL1931683 0.89 DRD2 (0.47) DRD2STAT6CYP51A1HRH4AKR1C3
SCHEMBL1931303 0.89 DRD2 (0.47) DRD2STAT6CYP51A1HRH4AKR1C3
SCHEMBL19856973 0.88 STAT6 (0.42) DRD2STAT6KDM5ACYP51A1HTRA1

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