SCHEMBL7972671

SCHEMBL7972671

O=C(CC(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
HPGD P15428 4/20 0.48
ALOX15 P16050 2/20 0.43
ALPL P05186 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CNR1 P21554 1/20 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
SCHEMBL14040795 0.96 TACR1 (0.47) TACR1HPGDALOX15ALPLALDH1A1
SCHEMBL7975015 0.89 HPGD (0.56) TACR1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7975009 0.89 HPGD (0.56) TACR1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7975013 0.89 HPGD (0.56) TACR1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7774834 0.81 HPGD (0.41) TACR1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL7974337 0.81 L3MBTL1 (0.58) HPGDALOX15LMNAKMT2AL3MBTL1
SCHEMBL14040973 0.80 BLM (0.43) LMNAL3MBTL1
SCHEMBL9828126 0.79 EPHX2 (0.39) CNR1
SCHEMBL9709892 0.79 KDM1A (0.40) HPGDALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL17887874 0.79 LMNA (0.48) TACR1HPGDALDH1A1LMNASMN1; SMN2

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
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US 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
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
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