SCHEMBL7752192

SCHEMBL7752192

COc1cc2c(cc1OCCN(C)C)NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
CHEK1 O14757 4/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
EHMT2 Q96KQ7 1/20 0.38
FLT3 P36888 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAOA P21397 2/20 0.36
TSHR P16473 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL8389373 0.92 HTR7 (0.40) HTR7CHEK1BCHEACHENOS3
SCHEMBL8612335 0.83 HTR7 (0.44) HTR7HTR2AHTR2CHRH3HTR2B
SCHEMBL8621045 0.83 HRH3 (0.37) HTR7BCHEACHEHRH3
SCHEMBL7756067 0.83 MAPT (0.40) HTR7HTR2AHTR2CHRH3MAOA
SCHEMBL8615260 0.82 NOS3 (0.39) HTR7NOS3NOS1FLT3PSEN1
Hydrochloric Acid SCHEMBL7092902 0.82 MEN1 (0.40) CHEK1EHMT2MAOATSHRALDH1A1
SCHEMBL5564105 0.82 MAOA (0.49) HTR2AHTR2CMAOATSHRHTR2B
SCHEMBL7092953 0.77 EHMT2 (0.56) ACHEEHMT2HRH3
SCHEMBL8389362 0.77 HTR2A (0.41) BCHEACHENOS1EHMT2HTR2A
SCHEMBL7097649 0.76 EHMT2 (0.55) CHEK1ACHEEHMT2HRH3

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-0777650-B1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-03-07 EP disclosed
US-5889022-A Indole, indoline and quinoline derivatives with 5HT1D (anti-depressive) activity SMITHKLINE BEECHAM, P.L.C. (GB) 1999-03-30 US disclosed
US-5817833-A Biphenylamide compounds as 5HT1D Antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-10-06 US disclosed
EP-0736023-B1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT 1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-08 EP disclosed
EP-0777650-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-06-11 EP disclosed
EP-0736023-A1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT 1D? (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
WO-1996006079-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-29 WO disclosed
WO-1995017398-A1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed