SCHEMBL22308692

SCHEMBL22308692

O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
SMYD3 Q9H7B4 2/20 0.62
CYP46A1 Q9Y6A2 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
GRM5 P41594 1/20 0.47
BACE1 P56817 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL22308153 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL28655445 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308698 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22289343 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308690 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308694 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308697 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308695 1.00 MEN1 (0.70) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8161568 0.84 NPC1 (0.87) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2979351 0.83 RAB9A (1.00) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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-2020160464-A1 TRANSIENT RECEPTOR POTENTIAL MELASTATIN 8 (TRPM8) ANTAGONISTS AND RELATED METHODS MARSHALL UNIVERSITY RESEARCH CORPORATION (US) 2020-08-06 WO disclosed