SCHEMBL7745569

SCHEMBL7745569

O=C(CBr)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.68
ACE P12821 4/20 0.67
ITGB2 P05107 7/20 0.66
ICAM1 P05362 7/20 0.66
ITGAL P20701 7/20 0.66
ERAP2 Q6P179 2/20 0.65
FPR2 P25090 1/20 0.65
P2RY14 Q15391 1/20 0.64
TP53 P04637 1/20 0.64
POLB P06746 1/20 0.64

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
SCHEMBL11369495 1.00 ALOX15 (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL6426552 1.00 ALOX15 (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL30936746 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL13278205 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29987387 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL6313468 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1994982 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1994981 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL3728145 0.88 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1407979 0.87 ALOX15 (0.68) ALOX15ACEITGB2ICAM1ITGAL

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-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed
US-4283337-A Process for the purification of tryptophane and derivatives of tryptophane DEUTSCHE GOLD UND- SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-08-11 US disclosed