SCHEMBL25834984

SCHEMBL25834984

O=C(c1ccc(NC2COC2)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.46
GRM5 P41594 9/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HCAR3 P49019 3/20 0.45
PRKAA2 P54646 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
ADRA1A P35348 1/20 0.44
GABRA5 P31644 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FASN P49327 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 0.90 HCAR3 (0.57) VNN1GRM5HCAR3PRKAA2ADRA1A
SCHEMBL25834884 0.86 HCAR3 (0.58) VNN1GRM5HCAR3PRKAA2KDM4E
SCHEMBL25835199 0.79 VNN1 (0.56) VNN1GRM5KDM4EADRA1AALDH1A1
SCHEMBL25342374 0.77 VNN1 (0.50) VNN1GRM5SMN1; SMN2PRKAA2ADRA1A
SCHEMBL30589658 0.77 VNN1 (0.50) VNN1GRM5SMN1; SMN2PRKAA2ADRA1A
SCHEMBL25834560 0.77 VNN1 (0.48) VNN1GRM5KDM4EADRA1AGABRA5
SCHEMBL25835103 0.77 HPGD (0.46) VNN1GRM5KDM4EADRA1AGABRA5
SCHEMBL16345854 0.76 VNN1 (0.49) VNN1GRM5SMN1; SMN2ADRA1AGABRA5
SCHEMBL25834104 0.76 RAB9A (0.58) VNN1GRM5SMN1; SMN2RAB9AADRA1A
SCHEMBL25835952 0.75 GRM5 (0.64) GRM5HCAR3KDM4EALDH1A1

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