SCHEMBL7750677

SCHEMBL7750677

CC(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CNR1 P21554 2/20 0.34
NPY1R P25929 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR2 P34972 1/20 0.33
ABCB1 P08183 1/20 0.32

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 SCHEMBL8119145 0.99 TPSAB1 (0.37) TPSAB1TDP1MEN1KMT2ALMNA
SCHEMBL4653109 0.92 TPSAB1 (0.39) TPSAB1TDP1MEN1KMT2AITGB3
SCHEMBL8121426 0.92 TPSAB1 (0.39) TPSAB1TDP1MEN1KMT2AITGB3
SCHEMBL30905434 0.91 CNR1 (0.41) TPSAB1TDP1MEN1KMT2ACNR1
SCHEMBL1389118 0.91 CNR1 (0.41) TPSAB1TDP1MEN1KMT2ACNR1
SCHEMBL8121296 0.91 F2 (0.38) TPSAB1TDP1MEN1KMT2AITGB3
SCHEMBL7750689 0.90 MEN1 (0.42) TDP1MEN1KMT2AITGB3ITGA2B
SCHEMBL4651831 0.90 CNR1 (0.42) TPSAB1TDP1MEN1KMT2ACNR1
SCHEMBL8528076 0.90 TPSAB1 (0.39) TPSAB1TDP1MEN1KMT2ANPY1R
SCHEMBL1593414 0.89 NPY1R (0.42) TDP1CNR1NPY1RCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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