SCHEMBL7230622

SCHEMBL7230622

CCOC(=O)CCN1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KAT2B Q92831 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRCA1 P38398 1/20 0.33
TNF P01375 1/20 0.32
RIPK2 O43353 1/20 0.32
MGLL Q99685 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL7228348 0.86 OPRL1 (0.35) ALDH1A1CHEK1
SCHEMBL7952198 0.85 GRM5 (0.41) NPSR1RIPK2GAA
SCHEMBL8544996 0.82 DRD2 (0.33)
SCHEMBL7223584 0.82 OPRL1 (0.36) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL8188621 0.80 NPSR1 (0.34) ALDH1A1NPSR1MEN1KMT2ARIPK2
SCHEMBL7223489 0.80 OPRM1 (0.35)
SCHEMBL7221392 0.79 OPRL1 (0.37)
SCHEMBL8184433 0.79 OPRL1 (0.36) ALDH1A1NPSR1MEN1KMT2ARIPK2
SCHEMBL16135471 0.79 OPRL1 (0.33)
SCHEMBL16115574 0.79 OPRL1 (0.33)

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