SCHEMBL7273779

SCHEMBL7273779

CNCCN(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 2/20 0.49
S1PR1 P21453 1/20 0.48
ACE P12821 1/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
MBTPS1 Q14703 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL7272567 0.99 TACR1 (0.50) TACR1MAPTALDH1A1RECQLPOLB
Hydrochloric Acid SCHEMBL27301243 0.99 TACR1 (0.50) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7336421 0.88 TACR1 (0.53) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7281772 0.85 TACR1 (0.50) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL27305186 0.82 TACR1 (0.47) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7272393 0.82 TACR1 (0.47) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7273716 0.82 TACR1 (0.47) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7284790 0.80 OPRK1 (0.48) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7274220 0.80 ALDH1A1 (0.49) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL27303428 0.80 ALDH1A1 (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