SCHEMBL6992756

SCHEMBL6992756

COC1(c2ccc(Cl)nc2)CC2CCC(C1)N2C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CHRNA3 P32297 2/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNB3 Q05901 1/20 0.36

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
SCHEMBL8208443 0.80 SLC6A2 (0.48) CHRNB2CHRNA4OPRM1OPRL1
SCHEMBL29814732 0.77 POLB (0.35) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL23089785 0.77 POLB (0.35) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL7230532 0.77 CHRNB2 (0.44) CHRNB2CHRNA4OPRM1OPRL1
SCHEMBL6996390 0.76 OPRL1 (0.45) OPRM1OPRL1
SCHEMBL8782082 0.75 OPRM1 (0.44) OPRM1OPRL1
SCHEMBL15341980 0.75 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3
SCHEMBL29239381 0.69 ALOX5 (0.41)
SCHEMBL751133 0.67 SLC6A3 (0.58) CHRNB2CHRNA4OPRM1CHRNA3CHRNB1
SCHEMBL989888 0.67 SLC6A3 (0.58) CHRNB2CHRNA4OPRM1CHRNA3CHRNB1

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