SCHEMBL7750609

SCHEMBL7750609

NC(=O)[C@@H](CCCNc1ncc[nH]1)N(Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.38
TRPC3 Q13507 1/20 0.36
TRPC7 Q9HCX4 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7801973 0.87 MC3R (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
SCHEMBL4650858 0.87 ITGB3 (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
Hydrochloric Acid SCHEMBL8120478 0.86 ITGB3 (0.38) TRPC3TRPC7TRPC5ITGB3ITGAV
SCHEMBL8119519 0.82 NPC1 (0.38) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL7746039 0.82 ITGB3 (0.33) ITGB3ITGAVITGA2BMAPTROCK2
SCHEMBL7750605 0.80 NPY1R (0.33) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL8121290 0.78 SLC1A3 (0.41) ROCK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL7793040 0.75 CHRM2 (0.40) ITGB3ITGAVITGA2BKDM4E
SCHEMBL9200969 0.75 ROCK1 (0.46) ROCK1TRPC3TRPC7TRPC5NPC1
SCHEMBL9200973 0.75 ROCK1 (0.46) ROCK1TRPC3TRPC7TRPC5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed