SCHEMBL31662436

SCHEMBL31662436

O=C1N(c2ccc(O)cc2)CCN1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
F2 P00734 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KHK P50053 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HGFAC Q04756 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
SCN9A Q15858 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL7394208 0.85 MAPT (0.41) KHKTDP1
SCHEMBL7394211 0.85 MAPT (0.41) KHKTDP1
SCHEMBL19244580 0.74 ALDH1A1 (0.52) F10F2KMT2AMEN1NPC1
SCHEMBL12362754 0.73 RAB9A (0.45) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL19586222 0.72 HTT (0.36) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL11217206 0.72 KHK (0.62) F10F2KMT2AMEN1NPC1
SCHEMBL31662528 0.72 DRD2 (0.50) KMT2AMEN1NPC1RAB9ASCN9A
SCHEMBL18361724 0.72 CA12 (0.52) TDP1
SCHEMBL7274634 0.72 ITGB3 (0.45) F10F2HPNPRSS1PRSS2
SCHEMBL20393293 0.71 CA1 (0.51) TDP1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed