SCHEMBL19856941

SCHEMBL19856941

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1Cl)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
CCR2 P41597 1/20 0.33
F10 P00742 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
P2RX7 Q99572 6/20 0.32
POLB P06746 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
FAAH O00519 1/20 0.31
IP6K1 Q92551 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
RAB9A P51151 1/20 0.30
ATM Q13315 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
SCHEMBL19856933 0.94 HPGD (0.36) TNFNOD2NOD1CCR2AVPR2
SCHEMBL19856929 0.93 CCR2 (0.35) CCR2F10
SCHEMBL19856992 0.93 CCR2 (0.34) CCR2KMT2AMEN1P2RX7CRHBP
SCHEMBL19856957 0.92 AVPR1A (0.34) CCR2AVPR2AVPR1A
SCHEMBL19856993 0.91 PLA2G10 (0.38) CCR2
SCHEMBL19856975 0.91 SMN1; SMN2 (0.34) CCR2F10KMT2AMEN1POLB
SCHEMBL19856910 0.91 HCRTR2 (0.37) KMT2AMEN1AVPR2AVPR1ARAB9A
SCHEMBL19857030 0.86 PLA2G10 (0.38) CCR2KMT2ACRHR2
SCHEMBL19856960 0.86 PLA2G10 (0.38) NOD2NOD1CCR2F10
SCHEMBL19856966 0.85 CYP3A4 (0.34) CCR2F10P2RX7

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