SCHEMBL4874435

SCHEMBL4874435

C=CCNc1ccc(NCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
LMNA P02545 5/20 0.43
SCN5A Q14524 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL1240317 0.94 CA12 (0.47) CA1CA2CA9CA12LMNA
SCHEMBL9512936 0.93 ABL1 (0.47) CA1CA2CA9CA12LMNA
SCHEMBL181559 0.83 MAPT (0.52) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL31497267 0.81 THRA (0.53) CA1CA2CA9CA12LMNA
SCHEMBL99646 0.81 CA12 (0.65) CA1CA2CA9CA12LMNA
SCHEMBL15846432 0.81 ALDH1A1 (0.42) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL6029585 0.79 CA12 (0.55) CA1CA2CA9CA12LMNA
Octane SCHEMBL4474706 0.79 EPHX1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL7360731 0.78 MAPT (0.43) CA1CA2CA9LMNASCN5A
SCHEMBL30800856 0.77 MAPT (0.46) LMNASCN5ACYP1A2MAOACNR1

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
US-20050091914-A1 Antioxidant composition for motor gasoline INDIAN OIL CORPORATION LIMITED (IN) 2005-05-05 US claimed
US-7470292-B2 Mannich base derived from p-substituted phenols or cashew nut shell oil and aromatic diamine; sedimentation, corrosion and water uptake resistance INDIAN OIL CORPORATION LIMITED (IN) 2008-12-30 US disclosed
US-20050091914-A1 Antioxidant composition for motor gasoline INDIAN OIL CORPORATION LIMITED (IN) 2005-05-05 US disclosed