SCHEMBL7974076

SCHEMBL7974076

O=C(Cc1c[nH]c2ccccc12)NCCCCCCNCCCCCCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.95

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
AANAT Q16613 1/20 0.56
MTNR1A P48039 2/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL7970603 0.97 LMNA (0.61) LMNAALDH1A1MEN1KMT2ABCHE
SCHEMBL7973858 0.96 LMNA (0.62) LMNAALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7974140 0.93 LMNA (0.60) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL7973953 0.93 GAA (0.60) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL10339735 0.91 CA12 (0.65) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL31389231 0.91 CA12 (0.65) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL29376803 0.91 CA12 (0.65) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL4101920 0.91 CA12 (0.65) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL7972279 0.90 SMN1; SMN2 (0.66) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL16596182 0.90 MTNR1A (0.70) LMNAALDH1A1MEN1KMT2AGAA

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