SCHEMBL441198

SCHEMBL441198

CC1(C)CCC(c2ccccc2)N1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
TRPA1 O75762 1/20 0.41
RIPK1 Q13546 4/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC18A3 Q16572 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL439205 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL441197 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17414366 0.76 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16004572 0.70 RORC (0.44) RIPK1KDM1A
SCHEMBL442162 0.69 ALDH1A1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL439204 0.68 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13543364 0.66 GAA (0.50) CHRNA7TRPA1GAAMEN1KMT2A
SCHEMBL28167716 0.66 RIPK1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL443829 0.66 ALDH1A1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4349095 0.65 TRPA1 (0.47) TRPA1GAAMEN1KMT2AALDH1A1

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-8309658-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-11-13 US disclosed
US-8138268-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-03-20 US disclosed
US-20120063109-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE RESONAC CORPORATION (JP) 2012-03-15 US disclosed
US-20110176288-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE HITACHI CHEMICAL COMPANY LTD. (JP) 2011-07-21 US disclosed
EP-2246400-A1 Circuit connecting material Hitachi Chemical Co., Ltd. (JP) 2010-11-03 EP disclosed
EP-1754762-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE Hitachi Chemical Co., Ltd. (JP) 2007-02-21 EP disclosed