SCHEMBL8909805

SCHEMBL8909805

CSC[C@H](N)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.56
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
P2RX1 P51575 1/20 0.40
METAP2 P50579 2/20 0.38
TSHR P16473 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL7276949 1.00 REN (0.56) RENFNTAFNTBPGGT1BP2RX1
SCHEMBL9256057 1.00 REN (0.56) RENFNTAFNTBPGGT1BP2RX1
SCHEMBL9800557 0.86 REN (0.61) RENFNTAFNTBPGGT1BP2RX1
SCHEMBL7276448 0.84 REN (0.49) RENMETAP2
SCHEMBL9252929 0.84 REN (0.49) RENMETAP2
SCHEMBL7290166 0.81 REN (0.47) RENMETAP2
SCHEMBL7283961 0.81 REN (0.47) RENMETAP2
SCHEMBL8908872 0.80 REN (0.44) RENP2RX1TSHR
SCHEMBL7429514 0.79 REN (0.43) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL9279210 0.77 REN (0.47) RENP2RX1

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed