SCHEMBL9527035

SCHEMBL9527035

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ GAA P10253 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ LMNA P02545 1/20 0.64
▸ ITGB2 P05107 4/20 0.61
▸ ICAM1 P05362 4/20 0.61
▸ ITGAL P20701 4/20 0.61
▸ ECE1 P42892 4/20 0.61
▸ MME P08473 3/20 0.61
▸ ACE P12821 1/20 0.60
▸ TACR1 P25103 3/20 0.59
▸ ALOX15 P16050 1/20 0.57
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL1285921 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL29401760 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL29386277 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL3808330 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL29935468 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL220800 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL5403959 0.92 MME (0.69) NMBRMAPTGAAHTTLMNA
SCHEMBL11876669 0.90 TACR1 (0.72) NMBRMAPTGAAHTTLMNA
SCHEMBL11872148 0.90 NMBR (0.66) NMBRMAPTGAAHTTLMNA
SCHEMBL11870726 0.90 TACR1 (0.72) NMBRMAPTGAAHTTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237522-B1 PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-02-24 — — EP disclosed
US-4870097-A ANALGESICS, CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1989-09-26 — — US disclosed
EP-0237522-A1 PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. ROTTA RESEARCH LAB (IT) 1987-09-23 — — EP disclosed
WO-1986003489-A1 PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1986-06-19 — — WO disclosed
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