SCHEMBL19856966

SCHEMBL19856966

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccc(Cl)cc2Cl)CC1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.34
UGCG Q16739 11/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CTSL P07711 3/20 0.33
CCR2 P41597 1/20 0.33
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.31
ACKR3 P25106 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL19856929 0.84 CCR2 (0.35) CCR2F10
SCHEMBL19856992 0.82 CCR2 (0.34) CCR2ALDH1A1P2RX7
SCHEMBL19856933 0.80 HPGD (0.36) CCR2ALDH1A1
SCHEMBL19856960 0.80 PLA2G10 (0.38) CCR2F10
SCHEMBL19856928 0.79 CCR1 (0.35) F10
SCHEMBL19856988 0.78 NOD2 (0.41) ALDH1A1
SCHEMBL19856957 0.78 AVPR1A (0.34) CCR2
SCHEMBL19856975 0.77 SMN1; SMN2 (0.34) CCR2ALDH1A1F10
SCHEMBL19856993 0.77 PLA2G10 (0.38) CCR2
SCHEMBL19857030 0.77 PLA2G10 (0.38) CCR2

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