SCHEMBL6992991

SCHEMBL6992991

NCCC1Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.59
HTR2A P28223 4/20 0.55
HRH1 P35367 3/20 0.55
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
CYP2C19 P33261 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP19A1 P11511 1/20 0.44
RET P07949 1/20 0.43
HTR2C P28335 1/20 0.43
PLAU P00749 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL31536940 1.00 IDO1 (0.59) IDO1HTR2AHRH1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL7212472 0.98 IDO1 (0.62) IDO1HTR2AHRH1CYP2D6SLC6A2
SCHEMBL7444973 0.86 HTR2A (0.58) IDO1HTR2AHRH1CYP2D6SLC6A2
SCHEMBL5712654 0.86 PLAU (0.52) IDO1HTR2AHRH1CYP2D6SLC6A2
SCHEMBL29992701 0.86 PLAU (0.52) IDO1HTR2AHRH1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8300848 0.83 IDO1 (0.56) IDO1HTR2AHRH1CYP19A1RET
SCHEMBL714536 0.80 HTR2A (0.52) IDO1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL29593942 0.80 HTR2A (0.52) IDO1HTR2AHRH1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1571970 0.78 IDO1 (0.55) IDO1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL13305786 0.77 MTNR1A (0.52) IDO1HTR2AHRH1CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368318-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2003-12-10 EP claimed
WO-2002007673-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-31 WO claimed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 WO disclosed
US-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0773019-A1 HYPERLIPEMIA REMEDY ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0589037-B1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-05-29 EP disclosed
US-5409956-A A sulfonylaminoalkylindan carboxylic acid or ester for treating thrombosis, vasospasm or asthma ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0589037-A1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-03-30 EP disclosed