SCHEMBL25835103

SCHEMBL25835103

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
VNN1 O95497 3/20 0.46
GRM5 P41594 9/20 0.46
GABRA5 P31644 1/20 0.45
ADRA1A P35348 2/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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 0.79 HCAR3 (0.57) VNN1GRM5ADRA1A
SCHEMBL25834560 0.78 VNN1 (0.48) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL25834743 0.77 ADRA1A (0.47) HPGDVNN1GRM5GABRA5ADRA1A
SCHEMBL25834984 0.77 VNN1 (0.46) KDM4EALDH1A1VNN1GRM5GABRA5
SCHEMBL25342374 0.76 VNN1 (0.50) HPGDALDH1A1VNN1GRM5GABRA5
SCHEMBL30589658 0.76 VNN1 (0.50) HPGDALDH1A1VNN1GRM5GABRA5
SCHEMBL25834884 0.76 HCAR3 (0.58) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL25835199 0.76 VNN1 (0.56) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL16345854 0.75 VNN1 (0.49) HPGDALDH1A1VNN1GRM5GABRA5
SCHEMBL25834104 0.75 RAB9A (0.58) HPGDVNN1GRM5GABRA5ADRA1A

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