SCHEMBL6970271

SCHEMBL6970271

O=C(NCc1ccc(Cl)cc1)OCCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL6968612 0.86 ROCK2 (0.47) HRH4HRH3LMNACYP2C9CYP2C19
SCHEMBL7974343 0.86 HRH4 (0.51) HRH4HRH3KMT2AMEN1LMNA
SCHEMBL6972584 0.84 L3MBTL1 (0.43) HRH4HRH3KMT2ALMNAPOLB
SCHEMBL6974399 0.84 ESR1 (0.42) HRH4HRH3KMT2AMEN1LMNA
SCHEMBL6965330 0.84 ESR1 (0.42) HRH4HRH3KMT2AMEN1LMNA
SCHEMBL6961677 0.81 MEN1 (0.56) KMT2AMEN1LMNACYP2C9CYP2C19
SCHEMBL6960067 0.81 MEN1 (0.56) KMT2AMEN1LMNACYP2C9CYP2C19
SCHEMBL6970199 0.79 RAB9A (0.40) HRH4HRH3LMNAPOLBKDM4E
SCHEMBL9028109 0.79 PLAAT3 (0.39) KMT2AMEN1LMNACYP2C9CYP2C19
SCHEMBL7989175 0.79 FAAH (0.45) KMT2AMEN1LMNA

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-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed