SCHEMBL27342814

SCHEMBL27342814

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ AGTR2 P50052 1/20 0.51
▸ MME P08473 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ HTR1D P28221 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HTR1E P28566 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47

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
Triletide SCHEMBL29387766 0.90 REN (0.68) RENALDH1A1THRBCYP2C9CYP2C19
Triletide SCHEMBL27342203 0.90 REN (0.68) RENALDH1A1THRBCYP2C9CYP2C19
Triletide SCHEMBL29403076 0.90 REN (0.68) RENALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9875941 0.89 MME (0.59) RENALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27343925 0.88 MME (0.61) RENALDH1A1MMEECE1
SCHEMBL27343931 0.88 MME (0.61) RENALDH1A1MMEECE1
Hydrochloric Acid SCHEMBL27341574 0.88 REN (0.62) REN
Bromide SCHEMBL27422846 0.86 REN (0.58) RENMMEECE1
SCHEMBL27673678 0.86 REN (0.65) REN
SCHEMBL27335661 0.86 REN (0.65) REN

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
CN-1043133-A imidazole-containing peptide and preparation method thereof TANABE SEIYAKU CO (JP) 1990-06-20 — — CN disclosed
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