SCHEMBL24613009

SCHEMBL24613009

CCN1c2ccccc2N(C(C)C2CCC2)C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL24613008 0.81 OPRM1 (0.36) OPRM1OPRL1OPRK1HTR2AHTR2C
SCHEMBL16525690 0.73 GRIA1 (0.38) GAAL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL28535114 0.71 OPRM1 (0.43) OPRM1OPRL1GAAALDH1A1
SCHEMBL24613003 0.68 CYP1A2 (0.38) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL26721665 0.67 LMNA (0.34) HTR2CGAA
SCHEMBL3457695 0.67 KDM4E (0.44) GAAL3MBTL1KDM4EALDH1A1
SCHEMBL16727561 0.62 ELANE (0.38) KDM4EALDH1A1
SCHEMBL16420337 0.62 KDM4E (0.32) GAAL3MBTL1KDM4EALDH1A1
SCHEMBL10767939 0.62 CHRM2 (0.61) GAAL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL26140621 0.62 ELANE (0.38) KDM4EALDH1A1

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
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
US-11383266-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-07-12 — — US disclosed
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