SCHEMBL7273374

SCHEMBL7273374

CN(CCN(C)C(=O)N1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
TACR1 P25103 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL9069239 1.00 OPRK1 (0.48) OPRK1TACR1MAPTALDH1A1RECQL
SCHEMBL7284790 1.00 OPRK1 (0.48) OPRK1TACR1MAPTALDH1A1RECQL
SCHEMBL7280682 0.90 TACR1 (0.44) OPRK1TACR1MAPTALDH1A1RECQL
SCHEMBL9068639 0.88 ALDH1A1 (0.53) ALDH1A1HRH3POLBTDP1
SCHEMBL7282932 0.88 ALDH1A1 (0.53) ALDH1A1HRH3POLBTDP1
SCHEMBL7283853 0.88 ALDH1A1 (0.53) ALDH1A1HRH3POLBTDP1
SCHEMBL7282549 0.87 MAPT (0.57) TACR1MAPTALDH1A1RECQLHRH3
SCHEMBL7281772 0.84 TACR1 (0.50) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7336421 0.82 TACR1 (0.53) TACR1MAPTALDH1A1RECQLPOLB
SCHEMBL7337799 0.81 POLB (0.60) TACR1MAPTATML3MBTL1POLB

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