SCHEMBL7023934

SCHEMBL7023934

O=C(Cc1c[nH]c2ccc(O)cc12)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
GLA P06280 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
PMP22 Q01453 1/20 0.64
TRPV1 Q8NER1 8/20 0.64
NR4A1 P22736 1/20 0.58
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
IDO1 P14902 1/20 0.53

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
SCHEMBL1853622 0.86 LMNA (0.71) LMNAALDH1A1HPGDHTTKMT2A
SCHEMBL807557 0.84 TRPV1 (0.70) ALDH1A1HPGDNPSR1TRPV1KMT2A
SCHEMBL6077115 0.83 TRPV1 (0.75) LMNAALDH1A1HPGDNPSR1TRPV1
SCHEMBL7018937 0.83 MTNR1A (0.70) ALDH1A1HPGDPMP22KMT2AMAPT
SCHEMBL20182375 0.81 NPSR1 (0.70) LMNAALDH1A1HPGDNPSR1GLA
SCHEMBL20182374 0.80 NPSR1 (0.68) LMNAALDH1A1HPGDNPSR1GLA
SCHEMBL24205751 0.80 ALDH1A1 (0.64) LMNAALDH1A1HPGDNPSR1GLA
SCHEMBL17209331 0.79 KMT2A (0.70) LMNAALDH1A1HPGDNPSR1GLA
SCHEMBL138121 0.79 NPSR1 (1.00) LMNAALDH1A1HPGDNPSR1GLA
SCHEMBL29350604 0.79 NPSR1 (1.00) LMNAALDH1A1HPGDNPSR1GLA

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 2 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
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