SCHEMBL19856964

SCHEMBL19856964

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 1/20 0.38
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
AVPR1A P37288 2/20 0.37
TSHR P16473 1/20 0.36
HSPA5 P11021 1/20 0.36
HSPA8 P11142 1/20 0.36
HSPA9 P38646 1/20 0.36
HSPA2 P54652 1/20 0.36
HTRA1 Q92743 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1550105 1.00 GRM1 (0.40) GRM1STAT6CYP51A1DRD2ALDH1A1
SCHEMBL19856967 0.86 CCKBR (0.44) STAT6CYP51A1DRD2HTRA1KDM4E
SCHEMBL19856968 0.86 CCKBR (0.44) STAT6CYP51A1DRD2HTRA1KDM4E
SCHEMBL7942248 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856885 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856900 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856886 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856884 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL1550055 0.81 HRH4 (0.45) STAT6CYP51A1DRD2HSPA5HSPA8
SCHEMBL1931303 0.80 DRD2 (0.47) STAT6CYP51A1DRD2ALDH1A1KDM4E

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