SCHEMBL25834104

SCHEMBL25834104

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
VNN1 O95497 1/20 0.49
GRM5 P41594 5/20 0.48
NAPRT Q6XQN6 1/20 0.47
ADRA1A P35348 1/20 0.46
GABRA5 P31644 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL25342374 0.84 VNN1 (0.50) HPGDSMN1; SMN2VNN1GRM5ADRA1A
SCHEMBL30589658 0.84 VNN1 (0.50) HPGDSMN1; SMN2VNN1GRM5ADRA1A
SCHEMBL3242724 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL31392086 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL423224 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL16345854 0.82 VNN1 (0.49) HPGDSMN1; SMN2VNN1GRM5ADRA1A
SCHEMBL24185705 0.82 RAB9A (0.53) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL20460596 0.81 GRM5 (0.63) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL990908 0.81 GRM5 (0.63) RAB9AHPGDSMN1; SMN2GRM5NAPRT
SCHEMBL28477730 0.80 RAB9A (0.62) RAB9AHPGDSMN1; SMN2GRM5NAPRT

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