SCHEMBL7464685

SCHEMBL7464685

COc1ccc(C2CNCCN2C(=O)N2CCNCC2c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.46
MAOA P21397 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL14833502 0.90 MMP1 (0.44) MAOAMMP1MMP3MMP7MMP9
SCHEMBL12520600 0.85 GAA (0.48) USP19MAOAMMP1MMP3MMP7
SCHEMBL7467909 0.82 DPP4 (0.54) HTR2AHTR2CHTR2B
SCHEMBL7749807 0.80 RIPK1 (0.46) USP19SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL778839 0.80 FPR1 (0.55) SMN1; SMN2CHRNA7KCNH2
SCHEMBL659344 0.79 MAOA (0.49) MAOAMMP1MMP3MMP7MMP9
SCHEMBL19066025 0.77 MAOA (0.44) MAOAMMP1MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL22217670 0.76 HRH3 (0.46) MAOATSHRSMN1; SMN2CHRNA7KCNH2
Hydrochloric Acid SCHEMBL20236464 0.76 HRH3 (0.46) MAOATSHRSMN1; SMN2KCNH2
SCHEMBL14833501 0.75 MAOA (0.43) MAOAMMP1MMP3MMP7MMP9

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed