SCHEMBL19856902

SCHEMBL19856902

COc1cccnc1-c1ccc(C(=O)N2CC3CC2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 1/20 0.35
STAT6 P42226 1/20 0.35
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
TEK Q02763 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
HTRA1 Q92743 1/20 0.34
TP53 P04637 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 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
SCHEMBL1549343 1.00 HTR2C (0.37) HTR2CDRD4DRD3HTR1ADRD2
SCHEMBL1549685 0.93 ABCB1 (0.38) DRD4DRD3HTR1ADRD2HTR2A
SCHEMBL1550720 0.92 TRPV1 (0.37) HTR2CDRD2STAT6HSPA5HSPA8
SCHEMBL1550596 0.91 NTRK1 (0.39) DRD2STAT6HSPA5HSPA8HSPA9
SCHEMBL1549968 0.91 NTRK1 (0.35) HTR2CDRD2STAT6TAS1R3TAS1R1
SCHEMBL16456898 0.89 DRD2 (0.38) HTR2CDRD2STAT6TAS1R3TAS1R1
SCHEMBL1550494 0.89 DRD2 (0.38) HTR2CDRD2STAT6TAS1R3TAS1R1
SCHEMBL1550985 0.88 NTRK1 (0.37) DRD2STAT6HSPA5HSPA8HSPA9
SCHEMBL1550758 0.88 NAMPT (0.40) DRD3DRD2STAT6TAS1R3TAS1R1
SCHEMBL1550050 0.88 CYP51A1 (0.40) DRD2STAT6TAS1R3TAS1R1HSPA5

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