SCHEMBL19856969

SCHEMBL19856969

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Oc2ccccc2)ccc1Cl)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.37
CYP2C8 P10632 1/20 0.37
KCNH2 Q12809 1/20 0.37
GALR3 O60755 1/20 0.33
GAA P10253 1/20 0.33
CCR2 P41597 1/20 0.32
MCL1 Q07820 2/20 0.32
ELANE P08246 1/20 0.31
PLA2G10 O15496 1/20 0.31
PARP14 Q460N5 2/20 0.30
PARP10 Q53GL7 2/20 0.30
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
FAAH O00519 1/20 0.30
CHEK2 O96017 1/20 0.30
MGLL Q99685 1/20 0.30
CHRM3 P20309 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 0.90 CCR2 (0.35) CCR2
SCHEMBL19856905 0.89 BTK (0.38) BTKCYP2C8KCNH2MCL1PLA2G10
SCHEMBL19856992 0.88 CCR2 (0.34) GAACCR2PLA2G10MGLL
SCHEMBL19856935 0.87 PARP10 (0.40) BTKCYP2C8KCNH2PLA2G10PARP14
SCHEMBL19857030 0.86 PLA2G10 (0.38) CCR2PLA2G10
SCHEMBL19856941 0.85 TNF (0.37) CCR2FAAH
SCHEMBL19856933 0.84 HPGD (0.36) CCR2
SCHEMBL19856957 0.83 AVPR1A (0.34) CCR2DPP4DPP7
SCHEMBL19856960 0.83 PLA2G10 (0.38) KCNH2CCR2MCL1PLA2G10
SCHEMBL19856981 0.81 SIRT3 (0.38)

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