SCHEMBL9359294

SCHEMBL9359294

COc1cccc(C(=CCN(C)C)Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
PARP1 P09874 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HSD11B1 P28845 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
SCHEMBL9358968 0.86 ALDH1A1 (0.40)
SCHEMBL9359070 0.84 KDM4E (0.43)
SCHEMBL9359040 0.82 MTNR1A (0.51) MTNR1AMTNR1BNPC1RAB9ACES2
Fumaric Acid SCHEMBL10475671 0.78 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL10670845 0.78 AOC3 (0.44) MTNR1AMTNR1BNPC1RAB9ACES2
SCHEMBL10670849 0.78 AOC3 (0.44) MTNR1AMTNR1BNPC1RAB9ACES2
SCHEMBL9358928 0.77 LMNA (0.45)
SCHEMBL9358937 0.75 MAPT (0.50)
SCHEMBL9359335 0.75 RAB9A (0.52) NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL10672261 0.75 AOC3 (0.47) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP claimed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US claimed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP claimed
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP disclosed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US disclosed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed