SCHEMBL9541314

SCHEMBL9541314

c1ccc(NC2CCc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.69
PDPK1 O15530 1/20 0.61
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
KDM1A O60341 1/20 0.53
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1A P35348 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
HTR6 P50406 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC18A3 Q16572 1/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
LMNA P02545 1/20 0.47
P2RX7 Q99572 2/20 0.45

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
SCHEMBL31300377 1.00 FADS1 (0.69) FADS1PDPK1CA1CA2MAOA
SCHEMBL290853 0.89 KMT2A (0.61) FADS1ADRA2BADRA2CADRA1AMEN1
SCHEMBL29565502 0.89 KMT2A (0.61) FADS1ADRA2BADRA2CADRA1AMEN1
SCHEMBL20415615 0.87 MEN1 (0.56) FADS1PDPK1ADRA2BADRA2CADRA1A
SCHEMBL28109682 0.82 PDPK1 (0.54) FADS1PDPK1CA1CA2MAOA
SCHEMBL4935777 0.82 FADS1 (1.00) FADS1PDPK1CA1CA2MAOA
SCHEMBL4741360 0.82 FADS1 (0.69) FADS1PDPK1CA1CA2MAOA
SCHEMBL12047881 0.82 FADS1 (0.57) FADS1PDPK1CA1CA2MAOA
SCHEMBL31300348 0.81 FADS1 (0.60) FADS1PDPK1CA1CA2MAOA
SCHEMBL2322457 0.79 PDPK1 (0.70) FADS1PDPK1CA1CA2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011114-A1 AMINE ANTIDEGRADANTS FOR UNSATURATED POLYMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-06-10 WO claimed
WO-1993011114-A1 AMINE ANTIDEGRADANTS FOR UNSATURATED POLYMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-06-10 WO disclosed