SCHEMBL7368537

SCHEMBL7368537

CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)c(N(C(=O)C2CCNCC2)c2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP2 Q8WXD0 1/20 0.40
PIP4K2A P48426 2/20 0.39
PIP4K2B P78356 2/20 0.39
ESR1 P03372 6/20 0.37
CFTR P13569 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
MAOA P21397 1/20 0.36
PYGL P06737 1/20 0.35
ATR Q13535 1/20 0.34
CYP19A1 P11511 1/20 0.34
TYRO3 Q06418 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL6169151 0.76 RXFP2 (0.39) RXFP2PIP4K2APIP4K2BESR1CFTR
SCHEMBL6169978 0.75 RXFP2 (0.51) RXFP2PIP4K2APIP4K2B
SCHEMBL7667295 0.75 HTR1A (0.32) TYRO3KIF18A
SCHEMBL6170463 0.73 RXFP2 (0.52) RXFP2PIP4K2APIP4K2B
SCHEMBL7661475 0.71 MAPT (0.36)
SCHEMBL6169142 0.70 RXFP2 (0.38) RXFP2PIP4K2APIP4K2BESR1IDH1
SCHEMBL1607103 0.68 PIP4K2A (0.64) PIP4K2APIP4K2BESR1MAOACYP19A1
SCHEMBL6169059 0.66 ESR1 (0.56) ESR1BTK
SCHEMBL7377861 0.65 RXFP2 (0.45) RXFP2ESR1CFTRGABRA1GABRB1
SCHEMBL6172046 0.65 RXFP2 (0.54) RXFP2

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
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed