SCHEMBL4023875

SCHEMBL4023875

O=C=NC1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ANPEP P15144 4/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GRIN2B Q13224 1/20 0.37
HTR1A P08908 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
SCHEMBL1193046 0.86 ANPEP (0.39) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL6953544 0.81 PLAU (0.46) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL29433031 0.81 PLAU (0.46) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL6129157 0.76 CYP3A4 (0.39) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL6129136 0.74 IDO1 (0.37) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL9382321 0.73 NPC1 (0.32)
SCHEMBL444655 0.72 HDAC8 (0.53)
SCHEMBL5659277 0.71 CYP19A1 (0.44) MAOAMAOBALDH1A1
SCHEMBL691835 0.71 PLAU (0.50) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL23051599 0.70 PLAU (0.46) PLAUMTNR1AMTNR1BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004153-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY (US) 2006-01-05 US claimed
US-7534849-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2009-05-19 US disclosed
US-20060004153-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY (US) 2006-01-05 US disclosed
EP-1506165-A1 TETRALIN ISOCYANATES Bayer MaterialScience LLC (US) 2005-02-16 EP disclosed
US-6841585-B2 Tetralin isocyanates BAYER MATERIALSCIENCE LLC (US) 2005-01-11 US disclosed
US-20040143029-A1 Tetralin isocyanates COVESTRO LLC 2004-07-22 US disclosed
US-6750367-B2 REACTING 1,2,3,4-TETRAHYDRONAPHTHALENE WITH NITRIC ACID TO PRODUCE DINITROTETRALIN THEN HYDROGENATING TO DIAMINOTETRALIN AND PHOSGENATING BAYER POLYMERS LLC 2004-06-15 US disclosed
WO-2003095419-A1 TETRALIN ISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2003-11-20 WO disclosed
US-20030212160-A1 Tetralin isocyanates COVESTRO LLC 2003-11-13 US disclosed
US-3987075-A ALKYL BENZENE SOLVENT OLIN CORPORATION (US) 1976-10-19 US disclosed