SCHEMBL7000149

SCHEMBL7000149

FC(F)(F)CN1C2CCC1CC(C#Cc1cccnc1)(c1cncc(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.34
OPRM1 P35372 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 2/20 0.30
CYP2E1 P05181 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2A6 P11509 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2B6 P20813 2/20 0.30
CYP2C19 P33261 2/20 0.30
USP2 O75604 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GRM4 Q14833 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 1/20 0.30

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
SCHEMBL6998018 0.86 DRD2 (0.36) GRM5
SCHEMBL6997944 0.84 GRM5 (0.40) OPRL1ALDH1A1HSD17B10GRM5CYP1A2
SCHEMBL6992532 0.82 TRPA1 (0.32)
SCHEMBL379213 0.79 OPRL1 (0.35) OPRL1
SCHEMBL6996255 0.79 TRPA1 (0.33)
SCHEMBL16555300 0.79 OPRL1 (0.35) OPRL1
SCHEMBL16565846 0.79 OPRL1 (0.35) OPRL1
SCHEMBL6617204 0.75 TRPA1 (0.34) OPRL1
SCHEMBL6998787 0.73 TRPA1 (0.37)
SCHEMBL7694965 0.73 CYP11B1 (0.35) OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946553-B1 8-AZABICYCLO 3.2.1]OCTANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES SYNGENTA LTD (GB) 2003-01-29 EP disclosed
US-6174894-B1 Bicyclic amine derivatives ZENECA LIMITED (GB) 2001-01-16 US disclosed
US-6093726-A AN INSECTICIDES, ACARICIDES OR NEMATICIDES ZENECA LIMITED (GB) 2000-07-25 US disclosed