SCHEMBL7280682

SCHEMBL7280682

CN(CCN(C)C(=O)N1CCSCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
ACE P12821 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MBTPS1 Q14703 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL7284790 0.90 OPRK1 (0.48) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7273374 0.90 OPRK1 (0.48) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL9069239 0.90 OPRK1 (0.48) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7279559 0.89 POLB (0.46) ALDH1A1POLBTDP1ACE
SCHEMBL7282549 0.85 MAPT (0.57) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7281772 0.82 TACR1 (0.50) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7266031 0.82 POLB (0.58) TACR1MAPTPOLBTDP1CYP3A4
SCHEMBL7336421 0.81 TACR1 (0.53) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7273779 0.79 TACR1 (0.51) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL9069023 0.78 TACR2 (0.49) TACR1MAPTALDH1A1RECQLPOLB

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-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed