SCHEMBL172539

SCHEMBL172539

CC1C[C@@H](C(=O)NCc2ccccc2)N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.58
CACNA1G O43497 7/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP4 P27487 2/20 0.49
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6685347 1.00 MC4R (0.58) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL9356274 0.83 MC4R (0.56) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL9356266 0.83 MC4R (0.56) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL9356279 0.83 MC4R (0.56) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL30254694 0.82 MC4R (0.55) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL25111799 0.81 CTSC (0.59) MC4RCACNA1GALDH1A1HPGDUSP2
Hydrochloric Acid SCHEMBL15142852 0.81 MC4R (0.54) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL18576456 0.81 CTSC (0.59) MC4RCACNA1GALDH1A1HPGDUSP2
SCHEMBL14963192 0.79 MC4R (0.68) MC4RALDH1A1HPGDUSP2TSHR
SCHEMBL19715630 0.79 MC4R (0.68) MC4RALDH1A1HPGDUSP2TSHR

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed