SCHEMBL23666362

SCHEMBL23666362

CCC1(CC)CN(C(c2ccccc2)c2ccccc2)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRL1 P41146 5/20 0.37
OPRK1 P41145 4/20 0.37
CACNA2D1 P54289 3/20 0.35
CACNB1 Q02641 3/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1C Q13936 2/20 0.35
SLC6A9 P48067 1/20 0.35
CACNA1A O00555 2/20 0.35
GRIN2B Q13224 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23666359 0.84 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666360 0.81 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666376 0.80 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666361 0.79 OPRM1 (0.39) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666363 0.79 SLC6A2 (0.39) SLC6A2SLC6A4OPRL1MEN1ALDH1A1
SCHEMBL23666379 0.70 SLC6A2 (0.39) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666380 0.68 OPRM1 (0.37) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666381 0.68 BCHE (0.43) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL23666378 0.65 OPRM1 (0.42) SLC6A2SLC6A4OPRM1OPRD1OPRL1
SCHEMBL11717643 0.61 KIF11 (0.40) SLC6A2SLC6A4OPRM1ALDH1A1CYP1A2

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-2021145649-A1 NOVEL N-HETEROCYCLIC CARBENE, TRANSITION METAL COMPLEX THEREOF, AND METHOD FOR PREPARING SAME 포항공과대학교 산학협력단 2021-07-22 WO disclosed