SCHEMBL9359229

SCHEMBL9359229

CNC/C=C(/Oc1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ELANE P08246 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
RAD51 Q06609 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9359262 1.00 HTR1B (0.38) HTR1BHTR1DMTNR1AMTNR1BELANE
SCHEMBL9359225 1.00 HTR1B (0.38) HTR1BHTR1DMTNR1AMTNR1BELANE
SCHEMBL9595848 0.91 DRD4 (0.39) HTR1BHTR1DELANEALDH1A1MAPT
SCHEMBL9363320 0.91 NPC1 (0.45) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL9358949 0.91 ESR1 (0.41) ELANEMAPTCYP1A2MEN1KMT2A
SCHEMBL9359049 0.89 SLC6A4 (0.40) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL9359254 0.89 SLC6A4 (0.38) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL9358624 0.87 CYP3A4 (0.43) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL9359040 0.87 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL9359074 0.87 KMT2A (0.49) ELANEALDH1A1MAPTCYP1A2KMT2A

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 4 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 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