SCHEMBL11627631

SCHEMBL11627631

N=NC1(Cc2ccccc2)CCC(Cc2ccccc2)(N=N)CCC(Cc2ccccc2)(N=N)CCC(Cc2ccccc2)(N=N)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
MAOA P21397 7/20 0.48
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
OPRL1 P41146 5/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 2/20 0.37
KDM1A O60341 4/20 0.36
OPRD1 P41143 1/20 0.35
CALM1 P0DP23 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8169758 0.71 MAOA (0.33) MAOBMAOAALDH1A1TSHRKDM1A
SCHEMBL506118 0.70 MAOB (0.54) MAOBMAOAALDH1A1OPRL1OPRM1
SCHEMBL11492101 0.67 MAOA (0.46) MAOBMAOATRPA1ALDH1A1OPRL1
SCHEMBL2374698 0.65 MAOA (0.54) MAOBMAOAOPRL1OPRM1OPRK1
SCHEMBL2374703 0.65 MAOA (0.54) MAOBMAOAOPRL1OPRM1OPRK1
SCHEMBL23343753 0.65 OPRL1 (0.65) MAOBMAOAOPRL1OPRM1OPRK1
SCHEMBL8347115 0.65 MAOA (0.54) MAOBMAOAALDH1A1OPRL1OPRM1
SCHEMBL8284799 0.65 MAOA (0.54) MAOBMAOAOPRL1OPRM1OPRK1
SCHEMBL156160 0.65 MAOA (0.54) MAOBMAOAALDH1A1OPRL1OPRM1
SCHEMBL1318340 0.65 MAOA (1.00) MAOBMAOAOPRL1OPRM1OPRK1

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-4093615-A Cyclic oligomers of N-substituted aziridines THE DOW CHEMICAL COMPANY (US) 1978-06-06 US disclosed