SCHEMBL7900706

SCHEMBL7900706

COCCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
ACKR3 P25106 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SCN9A Q15858 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
BRD4 O60885 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PROKR1 Q8TCW9 1/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
KAT7 O95251 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7901024 0.90 ALOX5AP (0.41) ALOX5APFEN1ACKR3TRPV3USP30
SCHEMBL7902418 0.90 LMNA (0.42) ALOX5APFEN1ACKR3USP30BRD4
SCHEMBL2789961 0.86 ALOX5AP (0.40) ALOX5APFEN1ACKR3TRPV3USP30
SCHEMBL2792403 0.86 PROKR1 (0.49) ACKR3USP30SCN9APROKR1BCHE
SCHEMBL2789308 0.83 TRPV3 (0.40) ALOX5APFEN1TRPV3USP30SCN9A
SCHEMBL2790130 0.82 ALOX5AP (0.34) ALOX5APFEN1TRPV3GPR119PROKR1
SCHEMBL2792001 0.82 TRPV3 (0.33) ALOX5APFEN1TRPV3GPR119PROKR1
SCHEMBL7901020 0.82 TRPV3 (0.41) ALOX5APFEN1ACKR3TRPV3USP30
SCHEMBL2791259 0.82 ALOX5AP (0.43) ALOX5APFEN1TRPV3USP30SCN9A
SCHEMBL2813838 0.81 KLK5 (0.36) ALOX5APFEN1SCN9APROKR1

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed