SCHEMBL8435345

SCHEMBL8435345

CCC[C@H]1CC[C@H](C2(c3ccc(F)cc3)CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
HSD11B1 P28845 4/20 0.36
OPRL1 P41146 4/20 0.36
TRPA1 O75762 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
OPRK1 P41145 1/20 0.33
CACNA1G O43497 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
SCHEMBL9180980 0.91 SLC6A3 (0.40) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL4802440 0.89 CYP1A2 (0.40) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL4802446 0.89 CYP1A2 (0.40) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL9177824 0.86 SLC6A3 (0.42) OPRM1SLC6A3SLC6A4SLC6A2OPRL1
SCHEMBL9574561 0.86 OPRL1 (0.33) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL9574554 0.86 OPRL1 (0.33) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL9177828 0.86 SLC6A3 (0.42) OPRM1SLC6A3SLC6A4SLC6A2OPRL1
SCHEMBL6524970 0.85 SLC6A4 (0.51) OPRM1SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL9183435 0.83 SLC6A4 (0.46) SLC6A9SLC6A3SLC6A4SLC6A2
SCHEMBL10612749 0.82 OPRD1 (0.36) TRPA1

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
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed