SCHEMBL8308422

SCHEMBL8308422

N=C(Nc1ccc2c(c1)C(N)CC2)C1=CC=CCC1=S

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.36
MTNR1A P48039 1/20 0.34
F2 P00734 2/20 0.31
PLG P00747 2/20 0.31
PLAU P00749 2/20 0.31
PLAT P00750 2/20 0.31
KLKB1 P03952 2/20 0.31
PRSS1 P07477 2/20 0.31

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
SCHEMBL8310121 0.93 ACHE (0.38) ACHEMTNR1AF2PLGPLAU
SCHEMBL8309882 0.83 DRD2 (0.46)
SCHEMBL8305510 0.80 CA12 (0.34)
SCHEMBL7513395 0.80 MAOA (0.39) F2PLGPLAUPLATKLKB1
SCHEMBL7517482 0.79 MAOA (0.40) PLAU
SCHEMBL7510363 0.78 CNR1 (0.41)
SCHEMBL7521473 0.78 CNR1 (0.41)
SCHEMBL7506683 0.77 F2 (0.42) F2PLGPLAUPLATKLKB1
SCHEMBL7874968 0.77 MTNR1A (0.44) ACHEMTNR1AF2PLGPLAU
SCHEMBL7518392 0.76 F2 (0.41) MTNR1AF2PLGPLAUPLAT

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
EP-0892802-A1 SPIRO(CYCLOPENT(B)INDOLE-PIPERIDINES) AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-01-27 EP claimed
WO-1997037992-A2 SPIRO[CYCLOPENT[B]INDOLE-PIPERIDINES] AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-10-16 WO claimed