SCHEMBL7708541

SCHEMBL7708541

CC(C)(C)OC(=O)N1CCC(c2ccc(N3C[C@@H](CCO)OC3=O)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
GPR119 Q8TDV5 4/20 0.46
USP30 Q70CQ3 1/20 0.45
MAOB P27338 6/20 0.43
CALML3 P27482 5/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
SDHA P31040 1/20 0.43
F10 P00742 1/20 0.41
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7708542 1.00 MAOA (0.46) MAOAGPR119USP30MAOBCALML3
SCHEMBL6402350 0.93 CALML3 (0.48) MAOAGPR119USP30MAOBCALML3
SCHEMBL6402349 0.93 CALML3 (0.48) MAOAGPR119USP30MAOBCALML3
SCHEMBL6395268 0.90 MAOA (0.49) MAOAGPR119USP30MAOBCALML3
SCHEMBL6395262 0.90 MAOA (0.49) MAOAGPR119USP30MAOBCALML3
SCHEMBL7971517 0.87 MAOA (0.59) MAOAGPR119MAOBCALML3LMNA
SCHEMBL7971520 0.87 MAOA (0.59) MAOAGPR119MAOBCALML3LMNA
SCHEMBL6402366 0.86 GPR119 (0.51) MAOAGPR119USP30MAOBCALML3
SCHEMBL6402364 0.86 GPR119 (0.51) MAOAGPR119USP30MAOBCALML3
SCHEMBL6398572 0.84 MAOB (0.49) MAOAMAOBCALML3LMNAPTGS1

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
US-6358942-B1 MICROBIOCIDES AND BACTERICIDES FOR TREATING GRAMPOSITIVE, BACTEROIDES, CLOSTRIDIUM, MYCOBACTERIUM, STAPHYLOCOCCUS AND STREPTOCOCCUS INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-03-19 US disclosed