SCHEMBL7754875

SCHEMBL7754875

COC(CNc1ccc(Cl)c(OCCN(C)C)c1)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.58
IDH1 O75874 2/20 0.41
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EGFR P00533 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 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
SCHEMBL7755432 0.86 UTS2R (0.48) UTS2RIDH1EGFRHTR2AHTR2C
SCHEMBL1727582 0.78 HRH3 (0.49) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL14937652 0.74 UTS2R (0.54) UTS2RMAOAHDAC1HDAC2HDAC8
SCHEMBL6413627 0.73 UTS2R (0.57) UTS2RIDH1EGFRHTR2AHTR2C
SCHEMBL8389361 0.73 UTS2R (0.53) UTS2RIDH1MAOAHDAC1HDAC2
SCHEMBL4832295 0.72 UTS2R (0.52) UTS2REGFRKDR
SCHEMBL18851368 0.71 MAPT (0.61) UTS2RMAPTKDM4EALDH1A1MEN1
SCHEMBL4632811 0.70 UTS2R (0.49) UTS2RHTR2AHTR2CMAPTKDM4E
SCHEMBL2551648 0.70 UTS2R (0.46) UTS2RHTR2AHTR2CMAPTKDM4E
SCHEMBL6542576 0.69 UTS2R (0.60) UTS2RMCHR1MAPTALDH1A1MEN1

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 7 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-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