SCHEMBL7972523

SCHEMBL7972523

O=C(CCCc1c[nH]c2ccccc12)NCCNCCNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ MTNR1A P48039 2/20 0.68
▸ GFER P55789 1/20 0.65
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ MAPT P10636 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ IDE P14735 1/20 0.61
▸ AANAT Q16613 1/20 0.60

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
Hydrochloric Acid SCHEMBL7960692 0.99 MEN1 (0.79) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL7973988 0.95 MEN1 (0.71) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL7974250 0.93 MEN1 (0.77) MEN1KMT2AMTNR1AGFERCYP1A2
Acetic Acid SCHEMBL7972183 0.90 MAPT (0.66) MEN1KMT2AMTNR1AGFERCYP1A2
Hydrochloric Acid SCHEMBL7960823 0.89 MEN1 (0.71) MEN1KMT2AMTNR1ACYP1A2CYP2D6
SCHEMBL7974246 0.88 MEN1 (0.74) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL24347579 0.87 MEN1 (0.68) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL7677886 0.87 MEN1 (0.84) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL5578012 0.86 MEN1 (0.83) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL7972190 0.85 MEN1 (0.59) MEN1KMT2AMTNR1AGFERCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 — — WO claimed
Send feedback