SCHEMBL8914068

SCHEMBL8914068

OC1(CCc2ccc3[nH]cc(C4=CCN(Cc5ccccc5)CC4)c3c2)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR1A P08908 15/20 0.62
DRD2 P14416 14/20 0.62
HTR2A P28223 5/20 0.62
HTT P42858 1/20 0.62
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7536094 0.80 OPRM1 (0.78) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL14280720 0.79 OPRM1 (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL9527241 0.78 OPRM1 (0.78) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7543848 0.78 HTR1A (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL9033992 0.77 HTR6 (0.53) HTR1ADRD2HTR2AKDM4EALOX15
SCHEMBL4194997 0.76 HTR1A (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7859795 0.76 OPRM1 (0.74) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7649906 0.75 HTR1A (0.83) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL1122147 0.74 OPRM1 (0.71) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL13944353 0.73 DRD2 (0.79) OPRM1OPRK1HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed