SCHEMBL899561

SCHEMBL899561

CC(C)N=C=NC(C)C.CCN=C=NCCCN(C)C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76

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
Hydrochloric Acid SCHEMBL15158235 0.98 CYP1A2 (0.73) CYP1A2CYP2D6
SCHEMBL8019304 0.89 CYP1A2 (0.58) CYP1A2CYP2D6
SCHEMBL3275536 0.87 CYP1A2 (0.59) CYP1A2CYP2D6
SCHEMBL1372 0.87 CYP1A2 (1.00) CYP1A2CYP2D6
SCHEMBL4798477 0.87 CYP1A2 (1.00) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10619074 0.85 CYP1A2 (0.57) CYP1A2CYP2D6
SCHEMBL2597843 0.85 CYP1A2 (0.96) CYP1A2CYP2D6
Water SCHEMBL1475933 0.85 CYP1A2 (0.96) CYP1A2CYP2D6
Bromide SCHEMBL22418547 0.85 CYP1A2 (0.96) CYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL21805838 0.85 CYP1A2 (0.96) CYP1A2CYP2D6

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-9517438-B2 Programmable membrane system EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2016-12-13 US disclosed
US-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed
US-5641788-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-24 US disclosed
EP-0686630-A1 Quinoline derivatives and pharmaceutical composition containing them TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-13 EP disclosed
US-4350693-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 US disclosed
US-4263291-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-21 US disclosed