SCHEMBL8124705

SCHEMBL8124705

CCCCCn1cc(OCCO)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
ICMT O60725 1/20 0.53
CNR2 P34972 12/20 0.52
CNR1 P21554 8/20 0.52
CDC25A P30304 1/20 0.51

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
SCHEMBL8138365 0.82 CDC25A (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8121101 0.78 CNR2 (0.62) ICMTCNR2CNR1CDC25A
SCHEMBL28034310 0.77 CNR2 (0.60) ICMTCNR2CNR1CDC25A
SCHEMBL28034290 0.77 CNR2 (0.60) ICMTCNR2CNR1CDC25A
SCHEMBL5462804 0.77 CDC25A (0.70) ICMTCNR2CNR1CDC25A
SCHEMBL28034936 0.76 CDC25A (0.58) ICMTCNR2CNR1CDC25A
SCHEMBL28034295 0.76 CDC25A (0.58) ICMTCNR2CNR1CDC25A
SCHEMBL168724 0.75 CDC25A (0.59) ICMTCNR2CNR1CDC25A
SCHEMBL8126918 0.75 CDC25A (0.64) ICMTCNR2CNR1CDC25A
SCHEMBL25433436 0.74 CNR2 (0.79) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734384-B1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2000-08-09 EP disclosed
EP-0939077-A2 3-Substituted 1-arylindole compounds as 5-HT2 antagonists H. LUNDBECK A/S (DK) 1999-09-01 EP disclosed
US-5789404-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTISEROTONIN AGENTS H. LUNDBECK A/S (DK) 1998-08-04 US disclosed
EP-0734384-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-10-02 EP disclosed
WO-1995016684-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1995-06-22 WO disclosed