SCHEMBL6990232

SCHEMBL6990232

O=C(CNc1cccc(C(=O)c2cc3cc(Cl)ccc3[nH]2)c1Cl)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 17/20 0.42
HRH4 Q9H3N8 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40
NHERF1 O14745 1/20 0.39

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
SCHEMBL6987333 0.88 PYGL (0.42) PYGLHRH4SMYD3NHERF1
SCHEMBL6984406 0.87 CHRM1 (0.44) PYGLHRH4SMYD3NHERF1
SCHEMBL6985512 0.80 KDM4E (0.45) SMYD3
SCHEMBL6986644 0.77 F10 (0.43)
SCHEMBL5868431 0.75 PYGL (0.47) PYGLHRH4SMYD3
SCHEMBL5868019 0.74 PYGL (0.43) PYGLHRH4SMYD3
SCHEMBL5868163 0.72 PYGL (0.47) PYGLHRH4
Hydrochloric Acid SCHEMBL5868302 0.71 PYGL (0.41) PYGLHRH4
SCHEMBL6988752 0.69 ALDH1A1 (0.43) SMYD3
SCHEMBL7254522 0.69 HRH4 (0.47) PYGLHRH4SMYD3

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed