SCHEMBL7228481

SCHEMBL7228481

N#CC1(c2ccc(Cl)nc2)CC2CCC(C1)N2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.44
CHRNA4 P43681 8/20 0.44
CHRNA7 P36544 5/20 0.41
CHRNA3 P32297 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNB4 P30926 4/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
HPGD P15428 1/20 0.40
CHRND Q07001 1/20 0.40
CHRNA2 Q15822 1/20 0.40

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
SCHEMBL29574467 0.78 OPRM1 (0.42)
SCHEMBL350982 0.78 OPRM1 (0.42)
SCHEMBL7230532 0.78 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL7224072 0.75 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3ALDH1A1TDP1
SCHEMBL876741 0.75 MAP4K4 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL28595299 0.75 MAP4K4 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL6574367 0.74 CHRNB4 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL16135470 0.74 CHRNB4 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL15821832 0.74 MAP4K4 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL31014508 0.74 OPRM1 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4

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