SCHEMBL9068639

SCHEMBL9068639

CN(CCN(C)C(=O)N1CCCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HRH3 Q9Y5N1 4/20 0.48
POLB P06746 2/20 0.48
FPR2 P25090 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MME P08473 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 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
SCHEMBL7283853 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10HRH3POLBFPR2
SCHEMBL7282932 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10HRH3POLBFPR2
SCHEMBL7283028 0.89 TACR2 (0.54) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL7279559 0.89 POLB (0.46) ALDH1A1HSD17B10POLBFPR2KMT2A
SCHEMBL9069239 0.88 OPRK1 (0.48) ALDH1A1HRH3POLBTDP1
SCHEMBL7284790 0.88 OPRK1 (0.48) ALDH1A1HRH3POLBTDP1
SCHEMBL7273374 0.88 OPRK1 (0.48) ALDH1A1HRH3POLBTDP1
SCHEMBL7275716 0.86 KMT2A (0.56) ALDH1A1HSD17B10HRH3POLBKMT2A
SCHEMBL7271561 0.82 ACE (0.50) FPR2MMELMNATDP1PSMB1
SCHEMBL6895655 0.80 ITGA4 (0.54) MMELMNAPSMB1PSMB5PSMB2

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-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US disclosed