SCHEMBL3829223

SCHEMBL3829223

CO[C]1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
SETD7 Q8WTS6 1/20 0.42
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 6/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 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
Dihydrophenanthrene SCHEMBL155991 0.74 CES1 (0.68) CES1SETD7ALDH1A1HPGDL3MBTL1
Dihydrophenanthrene SCHEMBL29404495 0.74 CES1 (0.68) CES1SETD7ALDH1A1HPGDL3MBTL1
Dihydrophenanthrene SCHEMBL30297028 0.74 CES1 (0.68) CES1SETD7ALDH1A1HPGDL3MBTL1
SCHEMBL9257523 0.72 CYP17A1 (0.46) CES1SETD7ALDH1A1HPGDL3MBTL1
Dihydrophenanthrene SCHEMBL28858771 0.72 CES1 (0.65) CES1SETD7ALDH1A1HPGDL3MBTL1
SCHEMBL30436624 0.72 CES1 (0.65) CES1SETD7ALDH1A1HPGDL3MBTL1
Dihydrophenanthrene SCHEMBL28876918 0.72 CES1 (0.65) CES1SETD7ALDH1A1HPGDL3MBTL1
SCHEMBL25076365 0.70 LMNA (0.47) CES1SETD7ALDH1A1HPGDL3MBTL1
SCHEMBL18938578 0.69 CES1 (0.62) CES1SETD7HPGDL3MBTL1LMNA
SCHEMBL2185230 0.69 CES1 (0.54) CES1SETD7ALDH1A1HPGDL3MBTL1

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-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed