SCHEMBL7089245

SCHEMBL7089245

COc1ccc(OCC(=O)N[C@@H](CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.68
P2RY14 Q15391 1/20 0.53
MAPT P10636 6/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL7087794 0.96 TACR1 (0.62) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7090456 0.95 TACR1 (0.61) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7091686 0.95 TACR1 (0.69) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7084238 0.94 TACR1 (0.63) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7082671 0.94 TACR1 (0.60) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7088635 0.94 TACR1 (0.61) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7088838 0.94 MEN1 (0.61) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7088170 0.94 TACR1 (0.69) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7089015 0.94 TACR1 (0.70) TACR1P2RY14MAPTMEN1KMT2A
SCHEMBL7081275 0.93 TACR1 (0.59) TACR1P2RY14MAPTMEN1KMT2A

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-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 EP disclosed
WO-1999007677-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed