SCHEMBL9053685

SCHEMBL9053685

CN(C)CCc1cc(CCN(C)C)ncn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.38
HRH3 Q9Y5N1 4/20 0.38
DNM2 P50570 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CHRNA7 P36544 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 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
SCHEMBL9054449 0.75 CHRNA7 (0.42) TAAR1HRH3CHRNA7HRH4
SCHEMBL12539197 0.72 KDM4E (0.44) NOS3NOS1NOS2GAA
SCHEMBL7748837 0.71 NOS3 (0.48) TAAR1HRH3CHRNA7NOS3NOS1
SCHEMBL31644385 0.71 TAAR1 (0.49) TAAR1HRH3CHRNA7
SCHEMBL9332019 0.68 HTR1A (0.39) TAAR1HRH3HTR2AHTR2CHTR2B
SCHEMBL30086100 0.67 KDM4E (0.58) TAAR1HRH3
SCHEMBL229256 0.67 KDM4E (0.58) TAAR1HRH3
SCHEMBL11445213 0.67 CYP2D6 (0.51) TAAR1HRH3CHRNA7NOS3NOS1
SCHEMBL7535532 0.67 HRH3 (0.34) TAAR1HRH3HTR2AHTR2CHTR2B
SCHEMBL2495475 0.67 KCNH2 (0.48) DNM2NOS2

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