SCHEMBL10662018

SCHEMBL10662018

CN(C)CCCOc1ccc2ccc(N)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.41
NOS2 P35228 6/20 0.41
NOS3 P29474 4/20 0.41
HTR7 P34969 2/20 0.41
HTR1B P28222 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYBB P04839 1/20 0.39
NCF1 P14598 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL10665610 0.92 HTR7 (0.49) NOS1NOS2NOS3HTR7HTR1B
SCHEMBL10665348 0.87 MCHR1 (0.40) KDM4EALDH1A1NCF1MCHR1
SCHEMBL4901032 0.80 HTR7 (0.55) NOS1NOS2NOS3HTR7HTR1B
SCHEMBL10755563 0.80 NCF1 (0.42) NCF1MCHR1
SCHEMBL10758913 0.77 NCF1 (0.45) ALDH1A1NCF1MCHR1
SCHEMBL10665493 0.75 MCHR1 (0.39) NOS1NOS2NOS3CYBBNCF1
SCHEMBL10665148 0.74 PDK2 (0.39) NOS1NOS2NOS3HTR7KDM4E
SCHEMBL10661426 0.74 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2CYBBNCF1
SCHEMBL7529925 0.73 HTR7 (0.64) HTR7HTR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10667360 0.72 HTR7 (0.40) NOS1NOS2NOS3HTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753933-A ANXIOLYTIS, ANTIEPILEPTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1988-06-28 US disclosed