SCHEMBL9250333

SCHEMBL9250333

CCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.34
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL9766719 0.98 APLNR (0.33) APLNRGAAMEN1MAPK1KMT2A
SCHEMBL9244209 0.97 GAA (0.34) APLNRGAAMAPT
SCHEMBL9250236 0.95 GAA (0.36) APLNRGAAMAPT
SCHEMBL9249912 0.93 APLNR (0.32) APLNR
SCHEMBL9159148 0.89 MEN1 (0.31) GAAMEN1MAPK1KMT2A
SCHEMBL9253040 0.88 TRPV3 (0.33) APLNR
SCHEMBL9766630 0.88 MEN1 (0.30) GAAMEN1MAPK1KMT2A
SCHEMBL9154681 0.85 GAA (0.33) GAAMAPT
SCHEMBL8774099 0.85 GAA (0.31) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9159896 0.82 SLC6A2 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed