SCHEMBL25835952

SCHEMBL25835952

O=C(c1ccc(NC2CC2)nc1)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.64
HCAR3 P49019 3/20 0.61
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51

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 0.85 HCAR3 (0.57) GRM5HCAR3
SCHEMBL25834884 0.84 HCAR3 (0.58) GRM5HCAR3HPGDALDH1A1KDM4E
SCHEMBL25533268 0.81 GRM5 (0.64) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL30398095 0.81 GRM5 (0.64) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL24100564 0.79 GRM5 (0.63) GRM5HCAR3HPGDALDH1A1KDM4E
SCHEMBL990874 0.78 GRM5 (1.00) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL22086829 0.77 VNN1 (0.65) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL1542481 0.77 HCAR3 (1.00) HCAR3
SCHEMBL28236426 0.77 CDK2 (0.51) GRM5HPGDL3MBTL3L3MBTL1CCNE1
SCHEMBL8115278 0.76 HCAR3 (0.97) HCAR3

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