SCHEMBL8306765

SCHEMBL8306765

COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)c1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.56
HTR1B P28222 10/20 0.56
HTR1A P08908 3/20 0.55
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL8302847 0.80 HTR1D (0.59) HTR1DHTR1BHTR1AMAPT
SCHEMBL28195627 0.79 ALDH1A1 (0.60) HTR1DHTR1BRAB9ASMN1; SMN2MEN1
SCHEMBL9050856 0.77 HTR1D (0.50) HTR1DHTR1BHTR1ASMN1; SMN2MAPT
SCHEMBL5449763 0.74 MEN1 (0.48) SMN1; SMN2MEN1MAPTKMT2ALMNA
SCHEMBL16494288 0.73 RAB9A (0.71) RAB9ASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8134911 0.73 SLC2A1 (0.63) HTR1DHTR1BHTR1ARAB9ASMN1; SMN2
SCHEMBL8302018 0.73 HTR1D (0.82) HTR1DHTR1BHTR1ARAB9ASMN1; SMN2
SCHEMBL8304123 0.71 HTR1D (0.52) HTR1DHTR1BHTR1AALDH1A1
SCHEMBL8132854 0.71 HTR1D (1.00) HTR1DHTR1BHTR1ASMN1; SMN2MEN1
SCHEMBL24157994 0.70 RAB9A (1.00) RAB9ASMN1; SMN2MEN1MAPTKMT2A

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-0716650-B1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-03-24 EP claimed
EP-0716650-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-19 EP claimed
WO-1995006637-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-09 WO claimed
EP-0716650-B1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-03-24 EP disclosed
US-5696122-A Indole and indoline derivatives as 5HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed