SCHEMBL7750702

SCHEMBL7750702

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NPY5R Q15761 8/20 0.38
NPY4R P50391 8/20 0.38
NPY1R P25929 7/20 0.38
NPY2R P49146 5/20 0.38
KDM4E B2RXH2 1/20 0.36
DEGS1 O15121 1/20 0.36
ACHE P22303 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL9203013 0.94 F7 (0.45) F7F2F10ESR1ESR2
SCHEMBL8525945 0.92 F7 (0.42) F7F2F10OPRM1TMEM97
SCHEMBL8526191 0.91 F7 (0.42) F7F2F10OPRM1TMEM97
SCHEMBL8122129 0.90 F7 (0.40) F7F2F10ESR1ESR2
SCHEMBL8121355 0.87 TGM2 (0.42) OPRM1TMEM97SIGMAR1KDM4E
SCHEMBL7751927 0.86 F7 (0.39) F7F2F10OPRM1TMEM97
SCHEMBL8111790 0.85 ESR1 (0.39) F7F2F10ESR1ESR2
SCHEMBL8112013 0.84 F7 (0.45) F7F2F10NPY5RNPY4R
SCHEMBL8528194 0.82 F7 (0.40) F7F2F10OPRM1TMEM97
SCHEMBL4650858 0.81 ITGB3 (0.38) F7F2F10ESR1ESR2

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