SCHEMBL10885804

SCHEMBL10885804

CC1=C(C)CC(CCCCN)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 1/20 0.33
CHRM1 P11229 1/20 0.32
RAD52 P43351 1/20 0.31

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
SCHEMBL5864311 0.94 SIGMAR1 (0.36) SIGMAR1CYP1A2
SCHEMBL5864406 0.86 NOS3 (0.33)
SCHEMBL5864460 0.79 SIGMAR1 (0.38) SIGMAR1
SCHEMBL5571194 0.78 GBA1 (0.31) CYP1A2
SCHEMBL6911419 0.77 NCF1 (0.34)
SCHEMBL5864220 0.74 BRD4 (0.37)
SCHEMBL22923436 0.73 GPR119 (0.32)
SCHEMBL5864329 0.69 NOS3 (0.30)
SCHEMBL134072 0.69
SCHEMBL5864208 0.69 BRD4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126294-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-11-20 EP disclosed
US-4609753-A PRE- AND POSTEMERGENCE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1986-09-02 US disclosed
EP-0079635-B1 ARYLPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-05-21 EP disclosed
US-4550205-A CONTROLLING WEEDS; LEAF-DESSICATION; DEFOLIATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-10-29 US disclosed
EP-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed