SCHEMBL7273429

SCHEMBL7273429

CC(C)(C)[Si](C)(C)O[C@H](CC1CCCCC1)[C@H](OCc1ccccc1)[C@@H]1CO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
SLC6A4 P31645 3/20 0.34
HTR2A P28223 2/20 0.34
CTSS P25774 9/20 0.34
CTSL P07711 4/20 0.34
CTSB P07858 3/20 0.34
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.31
REN P00797 2/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7275138 0.81 CTSS (0.34) HTR2CSLC6A4HTR2ACTSSCTSL
SCHEMBL7276562 0.79 REN (0.35) HTR2CSLC6A4HTR2ACTSSCTSL
SCHEMBL10407755 0.77 CTSB (0.48) CTSSCTSLCTSBCTSKATM
SCHEMBL7266047 0.75 KMT2A (0.36) CTSSCTSLCTSBREN
SCHEMBL7268032 0.73 KMT2A (0.39) CTSSCTSLCTSBREN
SCHEMBL2225894 0.68 TAAR1 (0.33) SLC6A4
SCHEMBL2225900 0.68 TAAR1 (0.33) SLC6A4
SCHEMBL10407757 0.66 CTSB (0.49) CTSSCTSLCTSBCTSKATM
SCHEMBL27687048 0.66 CTSS (0.41) SLC6A4CTSSCTSLCTSBCTSK
SCHEMBL8708149 0.65 OPRK1 (0.36)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed