SCHEMBL9088692

SCHEMBL9088692

CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NMBR P28336 14/20 0.72
TACR1 P25103 1/20 0.64
TACR3 P29371 1/20 0.58
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL16915248 0.89 NMBR (0.58) NMBRTACR1TACR3MAPTGAA
SCHEMBL18251830 0.89 NMBR (0.70) NMBRTACR1TACR3MAPTGAA
SCHEMBL6013894 0.87 NMBR (0.61) NMBRTACR1TACR3MAPTGAA
SCHEMBL6020259 0.87 NMBR (0.58) NMBRTACR1TACR3MAPTGAA
SCHEMBL6020248 0.87 CTSL (0.67) NMBRTACR1TACR3MAPTSMN1; SMN2
SCHEMBL4930789 0.86 NMBR (0.58) NMBRTACR1TACR3MAPT
SCHEMBL4930779 0.86 NMBR (0.58) NMBRTACR1TACR3MAPT
SCHEMBL18255299 0.86 NMBR (0.56) NMBRTACR1TACR3MAPTGAA
SCHEMBL18251829 0.86 NMBR (0.65) NMBRTACR1MAPTGAAHTT
SCHEMBL29354625 0.85 NMBR (0.56) NMBRTACR1MAPTSMN1; SMN2

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-5556853-A THIOL PROTEASE INHIBITORS, TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-17 US disclosed
EP-0655447-A1 Epoxysuccinic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1995-05-31 EP disclosed