SCHEMBL19856963

SCHEMBL19856963

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(c2ccccn2)CC1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.41
AVPR1A P37288 2/20 0.38
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 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
SCHEMBL19857006 0.85 CNR1 (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19856928 0.80 CCR1 (0.35)
SCHEMBL19856960 0.77 PLA2G10 (0.38)
SCHEMBL19856938 0.77 EIF4A3 (0.32)
SCHEMBL19856992 0.76 CCR2 (0.34) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL19856988 0.76 NOD2 (0.41) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19856991 0.75 SLC6A7 (0.37) LMNASMN1; SMN2
SCHEMBL19856927 0.74 KDM4E (0.34) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL19856907 0.73 HCRTR1 (0.33) SMN1; SMN2
SCHEMBL19856981 0.73 SIRT3 (0.38) ALDH1A1LMNASMN1; SMN2TP53TSHR

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