SCHEMBL25834884

SCHEMBL25834884

O=C(c1ccc(NC2CCCCC2)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.58
GRM5 P41594 11/20 0.51
PRKAA2 P54646 1/20 0.48
ADRA1A P35348 1/20 0.48
VNN1 O95497 1/20 0.46
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL25834424 0.94 HCAR3 (0.57) HCAR3GRM5PRKAA2ADRA1AVNN1
SCHEMBL25834984 0.86 VNN1 (0.46) HCAR3GRM5PRKAA2ADRA1AVNN1
SCHEMBL25835952 0.84 GRM5 (0.64) HCAR3GRM5KDM4EALDH1A1POLB
SCHEMBL25835199 0.78 VNN1 (0.56) GRM5ADRA1AVNN1KDM4EALDH1A1
SCHEMBL25835747 0.77 NAMPT (0.48) EPHX2
SCHEMBL25342374 0.76 VNN1 (0.50) GRM5PRKAA2ADRA1AVNN1ALDH1A1
SCHEMBL30589658 0.76 VNN1 (0.50) GRM5PRKAA2ADRA1AVNN1ALDH1A1
SCHEMBL8115278 0.76 HCAR3 (0.97) HCAR3
SCHEMBL25834560 0.76 VNN1 (0.48) GRM5ADRA1AVNN1KDM4EALDH1A1
SCHEMBL25835103 0.76 HPGD (0.46) GRM5ADRA1AVNN1KDM4EALDH1A1

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
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed