SCHEMBL7016762

SCHEMBL7016762

O=C(O)NCc1cccc(O)c1C1CCN(C(=O)c2cncc(CCc3ccccc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 6/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ VNN1 O95497 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL4405550 0.89 LMNA (0.39) EGLN1POLB
SCHEMBL7016765 0.84 MEN1 (0.38) EGLN1ALDH1A1VNN1KMT2AMEN1
Hydrochloric Acid SCHEMBL6321910 0.76 MEN1 (0.41) ALDH1A1VNN1KMT2AMEN1DRD4
SCHEMBL7021172 0.74 TPSAB1 (0.53) —
SCHEMBL1872130 0.74 HPN (0.47) ALDH1A1KMT2AMEN1KDM4EALOX15
SCHEMBL7019473 0.74 TPSAB1 (0.41) EGLN1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL7018734 0.74 TPSAB1 (0.46) NPC1RAB9A
Hydrochloric Acid SCHEMBL4402047 0.74 TPSAB1 (0.52) —
Hydrochloric Acid SCHEMBL4404743 0.73 TPSAB1 (0.40) EGLN1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL1867557 0.73 HPN (0.46) ALDH1A1KDM4EALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — WO disclosed
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