SCHEMBL25835199

SCHEMBL25835199

O=C(c1ccc(NC23CC(C2)C3)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.56
GRM5 P41594 10/20 0.46
ADRA1A P35348 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 0.81 HCAR3 (0.57) VNN1GRM5ADRA1A
SCHEMBL25834560 0.81 VNN1 (0.48) VNN1GRM5ADRA1AHPGDKDM4E
SCHEMBL25834984 0.79 VNN1 (0.46) VNN1GRM5ADRA1AKDM4EALDH1A1
SCHEMBL25834884 0.78 HCAR3 (0.58) VNN1GRM5ADRA1AHPGDKDM4E
SCHEMBL25342374 0.76 VNN1 (0.50) VNN1GRM5ADRA1AHPGDALDH1A1
SCHEMBL30589658 0.76 VNN1 (0.50) VNN1GRM5ADRA1AHPGDALDH1A1
SCHEMBL25835103 0.76 HPGD (0.46) VNN1GRM5ADRA1AHPGDKDM4E
SCHEMBL16345854 0.75 VNN1 (0.49) VNN1GRM5ADRA1AHPGDALDH1A1
SCHEMBL25834104 0.75 RAB9A (0.58) VNN1GRM5ADRA1AHPGD
SCHEMBL25296254 0.72 GRM5 (0.58) GRM5HPGDKDM4EALDH1A1POLB

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