SCHEMBL440388

SCHEMBL440388

CC1(C)CCC(C)(c2ccccc2)N1[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
BACE1 P56817 2/20 0.39
HSD11B1 P28845 2/20 0.39
OPRM1 P35372 3/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
TSHR P16473 1/20 0.37
DRD4 P21917 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PAX8 Q06710 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL3389799 0.90 ALDH1A1 (0.43) ALDH1A1BACE1HSD11B1OPRM1OPRK1
SCHEMBL444597 0.89 ALDH1A1 (0.38) ALDH1A1BACE1HSD11B1OPRM1OPRK1
SCHEMBL6317684 0.82 ALDH1A1 (0.41) ALDH1A1BACE1HSD11B1OPRM1OPRK1
SCHEMBL27219441 0.77 OPRM1 (0.41) BACE1HSD11B1OPRM1OPRL1
SCHEMBL440389 0.76 ALDH1A1 (0.40) ALDH1A1OPRM1OPRK1OPRL1DRD4
SCHEMBL27219429 0.76 CCR2 (0.45) OPRM1OPRK1OPRL1LMNA
SCHEMBL10170130 0.74 OPRM1 (0.45) ALDH1A1BACE1OPRM1OPRK1OPRL1
Aniline SCHEMBL28210652 0.73 TSHR (0.46) ALDH1A1BACE1HSD11B1OPRM1OPRK1
SCHEMBL3389800 0.72 ALDH1A1 (0.43) ALDH1A1HSD11B1OPRM1OPRK1OPRL1
SCHEMBL27219436 0.71 PDE2A (0.35) BACE1HSD11B1KCNH2

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