SCHEMBL19856910

SCHEMBL19856910

COc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](n1c(C(N)=O)cc2ccccc21)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.37
HCRTR1 O43613 3/20 0.37
MGLL Q99685 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BTK Q06187 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
BCL2L11 O43521 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
ALOX15 P16050 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31

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
SCHEMBL19857016 0.93 HCRTR2 (0.36) HCRTR2HCRTR1KMT2AMEN1
SCHEMBL19856941 0.91 TNF (0.37) RAB9AKMT2AMEN1AVPR2AVPR1A
SCHEMBL19856929 0.89 CCR2 (0.35) HCRTR2HCRTR1TSHRKDM4EALOX15
SCHEMBL19856975 0.89 SMN1; SMN2 (0.34) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL19856992 0.87 CCR2 (0.34) MGLLALDH1A1KMT2AKDM4EMEN1
SCHEMBL19856933 0.87 HPGD (0.36) HCRTR2HCRTR1NPC1RAB9AALDH1A1
SCHEMBL19856957 0.85 AVPR1A (0.34) AVPR2AVPR1A
SCHEMBL19856981 0.84 SIRT3 (0.38) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL19856993 0.84 PLA2G10 (0.38) HCRTR2HCRTR1
SCHEMBL19856960 0.83 PLA2G10 (0.38) MCL1

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