SCHEMBL7751919

SCHEMBL7751919

N=C(N)NCCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.53
▸ PADI4 Q9UM07 8/20 0.50
▸ PADI2 Q9Y2J8 5/20 0.50
▸ PDE4A P27815 2/20 0.50
▸ PDE4B Q07343 2/20 0.50
▸ PDE4C Q08493 2/20 0.50
▸ PDE4D Q08499 2/20 0.50
▸ PADI6 Q6TGC4 2/20 0.50
▸ FURIN P09958 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ FOLH1 Q04609 2/20 0.40

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
SCHEMBL1388417 0.89 PADI6 (0.44) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL8526187 0.87 MCHR1 (0.60) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL7750688 0.86 MCHR1 (0.59) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL9286645 0.86 MCHR1 (0.50) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL8114285 0.86 MCHR1 (0.50) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL8525943 0.85 MCHR1 (0.59) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL4650700 0.81 NPY1R (0.55) MCHR1
SCHEMBL1388294 0.81 TACR1 (0.46) PADI6
SCHEMBL8515668 0.76 HDAC1 (0.45) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL7549487 0.76 NPY4R (0.46) MCHR1

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-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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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