SCHEMBL9359083

SCHEMBL9359083

CNCC=C(Oc1cccc(OC)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
NLRP3 Q96P20 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL9359040 0.92 MTNR1A (0.51) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9363320 0.87 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9359229 0.87 HTR1B (0.38) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL9359225 0.87 HTR1B (0.38) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL9359262 0.87 HTR1B (0.38) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL9358617 0.86 CYP3A4 (0.43) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9358620 0.86 CYP3A4 (0.43) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9358624 0.86 CYP3A4 (0.43) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9359530 0.85 SLC6A4 (0.43) MTNR1AMTNR1BNPC1RAB9AALDH1A1
SCHEMBL9359275 0.84 CA12 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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