SCHEMBL4675704

SCHEMBL4675704

[CH2]C(Cc1ccccc1)C1COCCO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CTSL P07711 1/20 0.32
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL4244385 0.86 EPHX1 (0.40) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL10979780 0.81 SIGMAR1 (0.34) EPHX1CTSLTAAR1SIGMAR1MEN1
SCHEMBL10403496 0.81 EPHX1 (0.41) EPHX1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL2452705 0.81 CYP1A2 (0.34) CTSLMEN1KMT2AHPGDLMNA
SCHEMBL11451574 0.77 MEN1 (0.45) MEN1KMT2ALMNAHTTPPARG
SCHEMBL5912625 0.75 MAPT (0.34) CTSLMEN1KMT2AHPGDLMNA
SCHEMBL5807375 0.74 SIGMAR1 (0.35) EPHX1CTSLTAAR1SIGMAR1PPARG
SCHEMBL7286543 0.73 SIGMAR1 (0.34) SLC6A2SIGMAR1SLC6A4SLC6A3GAA
SCHEMBL7461733 0.71 SIGMAR1 (0.34) CTSLSIGMAR1PPARG
SCHEMBL7897950 0.71 HTR1A (0.33) SLC6A2SIGMAR1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP claimed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP disclosed
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP disclosed
EP-0065864-B1 ANTI-HYPERTENSIVE 1-SUBSTITUTED SPIRO (PIPERIDINE-OXOBENZOXAZINES) SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
EP-0065864-A1 Anti-hypertensive 1-substituted spiro (piperidine-oxobenzoxazines) SYNTEX (U.S.A.) INC. (US) 1982-12-01 EP disclosed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US disclosed