SCHEMBL7974343

SCHEMBL7974343

O=C(NCc1ccc(Cl)cc1)OCCCc1c[nH]cn1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7961151 0.88 HRH4 (0.39) HRH4HRH3
SCHEMBL7977425 0.88 FAAH (0.46) HRH4HRH3LMNA
SCHEMBL7974350 0.88 NPC1 (0.46) HRH3
SCHEMBL6970271 0.86 HRH4 (0.44) HRH4HRH3KMT2AMEN1LMNA
SCHEMBL7961352 0.85 NAAA (0.43)
SCHEMBL7971184 0.84 EPHX1 (0.43) KMT2AMEN1CYP2C9CYP2C19
SCHEMBL7973065 0.83 NPC1 (0.49)
SCHEMBL7989175 0.81 FAAH (0.45) KMT2AMEN1LMNA
SCHEMBL6973817 0.77 POLB (0.53) KMT2AMEN1LMNACYP2C19POLB
SCHEMBL7977081 0.77 HRH3 (0.49) HRH4HRH3KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5750560-A ANTICOAGULANTS; FREE RADICAL SCAVENGERS; CARDIOVASCULAR, GASTROINTESTINAL, NERVOUS SYSTEM AND RESPIRATORY SYSTEM DISORDERS LABORATOIRES DE THERAPEUTIQUE MODERNE (FR) 1998-05-12 US disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed