SCHEMBL25834743

SCHEMBL25834743

CC(C)(C)[Si](C)(C)OCCNc1ccc(C(=O)N2CCC(F)(F)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.47
GABRA5 P31644 2/20 0.43
HCAR3 P49019 1/20 0.43
VNN1 O95497 4/20 0.42
HTR1A P08908 3/20 0.41
HPGD P15428 1/20 0.41
FASN P49327 1/20 0.40
GRM5 P41594 4/20 0.39
BDKRB1 P46663 1/20 0.39

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
SCHEMBL25835103 0.77 HPGD (0.46) ADRA1AGABRA5VNN1HPGDGRM5
SCHEMBL25834984 0.72 VNN1 (0.46) ADRA1AGABRA5HCAR3VNN1FASN
SCHEMBL25834424 0.71 HCAR3 (0.57) ADRA1AHCAR3VNN1GRM5
SCHEMBL25834560 0.71 VNN1 (0.48) ADRA1AGABRA5VNN1HPGDGRM5
SCHEMBL15205661 0.69 ATM (0.43) HCAR3HPGD
SCHEMBL25342374 0.69 VNN1 (0.50) ADRA1AGABRA5VNN1HPGDGRM5
SCHEMBL30589658 0.69 VNN1 (0.50) ADRA1AGABRA5VNN1HPGDGRM5
SCHEMBL18291340 0.69 PIK3CA (0.47)
SCHEMBL25835199 0.69 VNN1 (0.56) ADRA1AVNN1HPGDGRM5
SCHEMBL25834884 0.69 HCAR3 (0.58) ADRA1AHCAR3VNN1HPGDGRM5

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