SCHEMBL7222906

SCHEMBL7222906

CC(C)N(C(=O)N1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 3/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
RIPK2 O43353 1/20 0.31
CHEK1 O14757 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM1A O60341 3/20 0.30
GAA P10253 1/20 0.30
OPRM1 P35372 1/20 0.30
CCR5 P51681 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7223809 0.86 GRM5 (0.36) OPRL1NPSR1GRM5RIPK2CHEK1
SCHEMBL8174171 0.86 OPRL1 (0.36) OPRL1NPSR1GRM5RIPK2CHEK1
SCHEMBL8184433 0.86 OPRL1 (0.36) OPRL1NPSR1GRM5RIPK2CHEK1
SCHEMBL7222052 0.84 OPRL1 (0.35) OPRL1NPSR1GRM5RIPK2CHEK1
SCHEMBL8188621 0.83 NPSR1 (0.34) OPRL1NPSR1RIPK2CHEK1CYP11B2
SCHEMBL6617335 0.82 OPRL1 (0.41) OPRL1CHEK1CYP11B2GAAOPRM1
SCHEMBL7952198 0.82 GRM5 (0.41) OPRL1NPSR1GRM5KCNK3KCNK9
SCHEMBL7230266 0.82 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL7230570 0.81 GAA (0.35) OPRL1NPSR1GRM5RIPK2CHEK1
SCHEMBL6573291 0.80 OPRL1 (0.38) OPRL1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573275-B1 Insecticidal compositions comprising and to methods of combatting and controlling insect pests therewith. SYNGENTA LIMITED (GB) 2003-06-03 US disclosed
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed
US-6391883-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2002-05-21 US disclosed
US-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed
EP-0828739-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
WO-1996037494-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed