SCHEMBL7167066

SCHEMBL7167066

CC(C)Cc1ccc(C(C)C(=O)NCCCCN(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
TRPV1 Q8NER1 7/20 0.59
CHRM1 P11229 1/20 0.57
PDE4A P27815 1/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA9 Q16790 3/20 0.56
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53

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
SCHEMBL4908720 1.00 APP (0.62) APPBCHEACHETRPV1CHRM1
Hydrochloric Acid SCHEMBL4419816 0.99 APP (0.61) APPBCHEACHETRPV1CHRM1
Hydrochloric Acid SCHEMBL4909193 0.99 APP (0.61) APPBCHEACHETRPV1CHRM1
SCHEMBL4431747 0.96 APP (0.63) APPBCHEACHETRPV1CHRM1
SCHEMBL3817985 0.96 APP (0.63) APPBCHEACHETRPV1CHRM1
Hydrochloric Acid SCHEMBL4743234 0.95 APP (0.62) APPBCHEACHETRPV1CHRM1
Hydrochloric Acid SCHEMBL4421826 0.95 APP (0.62) APPBCHEACHETRPV1CHRM1
Hydrochloric Acid SCHEMBL4743230 0.95 APP (0.62) APPBCHEACHETRPV1CHRM1
SCHEMBL3820586 0.91 CHRM1 (0.61) APPBCHEACHETRPV1CHRM1
SCHEMBL4431787 0.91 CHRM1 (0.61) APPBCHEACHETRPV1CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1538951-B Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells DOMPE SPA 2013-08-28 CN claimed
EP-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 WO disclosed