SCHEMBL25644459

SCHEMBL25644459

CC1(C)C2=C(CCC(N)=C2)c2ccc(N)cc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12992581 0.83 ALDH1A1 (0.37) ALDH1A1CASP1CASP7HSD17B10
SCHEMBL24254910 0.81 PDK2 (0.38) —
SCHEMBL10043787 0.77 KDM4E (0.30) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL30340812 0.71 PDK2 (0.44) OPRM1OPRD1OPRK1KDM4ENPC1
SCHEMBL29479852 0.71 PDK2 (0.44) OPRM1OPRD1OPRK1KDM4ENPC1
SCHEMBL349824 0.71 PDK2 (0.44) OPRM1OPRD1OPRK1KDM4ENPC1
SCHEMBL12992778 0.71 MAPT (0.33) OPRM1OPRD1OPRK1KDM4ENPC1
SCHEMBL12992233 0.71 — —
SCHEMBL12992841 0.71 — —
SCHEMBL21546160 0.71 KDM4E (0.30) KDM4ENPC1ALDH1A1LMNAMAPT

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
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 — — EP disclosed
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