SCHEMBL19856871

SCHEMBL19856871

Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
STAT6 P42226 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP51A1 Q16850 4/20 0.38
PYGL P06737 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CNR2 P34972 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CCR1 P32246 1/20 0.36
CCKAR P32238 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL19856872 1.00 DRD2 (0.41) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856883 0.94 ALOX15 (0.42) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856882 0.94 ALOX15 (0.42) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856942 0.93 DRD2 (0.42) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856943 0.93 DRD2 (0.42) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856916 0.91 CYP51A1 (0.40) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856914 0.91 CYP51A1 (0.40) DRD2STAT6ALOX15CYP51A1PYGL
SCHEMBL19856897 0.91 DRD2 (0.41) DRD2STAT6CYP51A1PYGLPDGFRB
SCHEMBL19856899 0.91 DRD2 (0.41) DRD2STAT6CYP51A1PYGLPDGFRB
SCHEMBL1549906 0.91 DRD2 (0.42) DRD2STAT6ALOX15CYP51A1PDGFRB

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