SCHEMBL9054350

SCHEMBL9054350

CC(C)(CN)c1cc(C(C)(C)CN)ncn1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
CA2 P00918 1/20 0.35
CHKA P35790 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
SCHEMBL9055690 0.75 TAAR1 (0.41) TAAR1
SCHEMBL278866 0.71 CA2 (0.37) CA2CHKA
SCHEMBL24116762 0.67 TAAR1 (0.34) TAAR1
SCHEMBL1478334 0.67 SMN1; SMN2 (0.48) TAAR1
SCHEMBL22145964 0.67 HSP90AA1 (0.38) TAAR1
SCHEMBL30634160 0.67 SMN1; SMN2 (0.48) TAAR1
SCHEMBL24714763 0.67 CA2 (0.32) CA2CHKA
SCHEMBL11493274 0.67 TAAR1 (0.39) TAAR1
SCHEMBL1480763 0.66 NOS3 (0.43) TAAR1
SCHEMBL14415969 0.66 CYP2C9 (0.46) TAAR1

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
WO-1996000248-A1 WATER MISCIBLE NON-HYDROLYZABLE CROSS-LINKERS AND HIGH REFRACTIVE INDEX HYDROGELS PREPARED THEREWITH KABI PHARMACIA OPHTHALMICS, INC. (US) 1996-01-04 WO claimed
WO-1996000248-A1 WATER MISCIBLE NON-HYDROLYZABLE CROSS-LINKERS AND HIGH REFRACTIVE INDEX HYDROGELS PREPARED THEREWITH KABI PHARMACIA OPHTHALMICS, INC. (US) 1996-01-04 WO disclosed
US-5439950-A Intraocular lenses KABI PHARMACIA OPHTHALMICS, INC. (US) 1995-08-08 US disclosed