SCHEMBL7972597

SCHEMBL7972597

c1ccc2c(OCCc3c[nH]cn3)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.51
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KCNA3 P22001 1/20 0.49
HTR1D P28221 1/20 0.48
SLC6A4 P31645 2/20 0.47
HRH1 P35367 1/20 0.47
GPR84 Q9NQS5 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
SCHEMBL7974231 0.75 ALDH1A1 (0.47) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL5289923 0.75 HTR1B (0.77) HTR1BTDP1KMT2AMEN1NPC1
SCHEMBL7974933 0.75 TDP1 (0.51) TDP1KMT2AMEN1NPC1ALDH1A1
SCHEMBL7974330 0.74 CNR1 (0.41) KMT2AMEN1NPC1RAB9ASLC6A4
SCHEMBL6286393 0.73 HTR1B (0.51) HTR1BTDP1KMT2AMEN1NPC1
SCHEMBL13517105 0.73 S1PR5 (0.41) HTR1BKCNA3SLC6A4
SCHEMBL9770352 0.73 KCNA3 (0.81) HTR1BTDP1KMT2AMEN1KCNA3
SCHEMBL2177350 0.73 HTR1B (0.78) HTR1BTDP1KMT2AKCNA3HTR1D
SCHEMBL8981682 0.73 KMT2A (0.69) HTR1BTDP1KMT2AALDH1A1HPGD
SCHEMBL8104752 0.72 CNR1 (0.36) SLC6A4

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 9 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
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO 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
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP 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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed