SCHEMBL7588607

SCHEMBL7588607

C=CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.73
CYP3A4 P08684 3/20 0.73
CYP1A2 P05177 3/20 0.73
HTT P42858 1/20 0.63
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 3/20 0.52
THRB P10828 3/20 0.52
BLM P54132 3/20 0.52
PMP22 Q01453 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
BCHE P06276 3/20 0.47
POLB P06746 1/20 0.46

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
Piperidolate SCHEMBL249131 0.84 CYP2D6 (1.00) CYP2D6CYP3A4CYP1A2HTTTP53
Piperidolate SCHEMBL28832658 0.84 CYP2D6 (1.00) CYP2D6CYP3A4CYP1A2HTTTP53
SCHEMBL24671287 0.83 CYP3A4 (0.76) CYP2D6CYP3A4CYP1A2HTTTP53
Piperidolate SCHEMBL437741 0.83 CYP3A4 (1.00) CYP2D6CYP3A4CYP1A2HTTTP53
Piperidolate SCHEMBL2734595 0.83 CYP2D6 (0.98) CYP2D6CYP3A4CYP1A2HTTTP53
Piperidolate SCHEMBL1649482 0.82 CYP2D6 (0.95) CYP2D6CYP3A4CYP1A2HTTTP53
SCHEMBL11124160 0.82 CHRNB2 (0.49) CYP2D6CYP3A4CYP1A2MEN1KMT2A
Biphenyl SCHEMBL7588601 0.80 CYP3A4 (0.49) CYP2D6CYP3A4CYP1A2BCHEMAOB
SCHEMBL10517675 0.79 CYP2D6 (0.70) CYP2D6CYP3A4CYP1A2HTTTP53
SCHEMBL9672067 0.79 DRD3 (0.47) CYP2D6CYP3A4CYP1A2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634932-B1 METHOD FOR REDUCING INTRAOCULAR PRESSURE IN THE MAMMALIAN EYE BY ADMINISTRATION OF MUSCARINIC ANTAGONISTS ALLERGAN INC (US) 2002-06-19 EP disclosed
US-5716952-A TOPICAL APPLICATION ALLERGAN (US) 1998-02-10 US disclosed
EP-0634932-A1 METHOD FOR REDUCING INTRAOCULAR PRESSURE IN THE MAMMALIAN EYE BY ADMINISTRATION OF MUSCARINIC ANTAGONISTS ALLERGAN, INC. (US) 1995-01-25 EP disclosed
WO-1993018772-A1 METHOD FOR REDUCING INTRAOCULAR PRESSURE IN THE MAMMALIAN EYE BY ADMINISTRATION OF MUSCARINIC ANTAGONISTS ALLERGAN, INC. (US) 1993-09-30 WO disclosed