SCHEMBL7023719

SCHEMBL7023719

COc1ccc2occ(CCCC(=O)NC3CCCC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.60
MTNR1B P49286 3/20 0.60
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NQO2 P16083 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL7014862 0.85 HPGD (0.50) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL7016861 0.84 HPGD (0.44) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL8690384 0.82 MTNR1A (0.64) MTNR1AMTNR1BNQO2KMT2AALDH1A1
SCHEMBL3456280 0.80 HPGD (0.74) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8006826 0.80 MTNR1A (0.64) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8695744 0.79 MTNR1A (0.64) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL7100233 0.79 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL8694576 0.78 MTNR1A (0.65) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL10144817 0.75 CYP1A2 (1.00) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17785106 0.75 MTNR1A (0.70) MTNR1AMTNR1BNQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed