SCHEMBL9359093

SCHEMBL9359093

CNCC=C(Oc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9359530 0.92 SLC6A4 (0.43) SLC6A4DRD2DRD4NPC1RAB9A
SCHEMBL9359229 0.85 HTR1B (0.38) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9359262 0.85 HTR1B (0.38) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9359225 0.85 HTR1B (0.38) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9359040 0.85 MTNR1A (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9359254 0.85 SLC6A4 (0.38) SLC6A4DRD2DRD4NPC1RAB9A
SCHEMBL9359049 0.85 SLC6A4 (0.40) SLC6A4DRD2DRD4NPC1RAB9A
SCHEMBL9359070 0.82 KDM4E (0.43) SLC6A4LMNAKDM4EALDH1A1MAPT
SCHEMBL9358617 0.80 CYP3A4 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL9358624 0.80 CYP3A4 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2

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 8 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
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO 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