SCHEMBL6985512

SCHEMBL6985512

O=C(CNc1cccc(C(=O)c2ccc3cc[nH]c3c2)c1Cl)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
F10 P00742 5/20 0.38
CCR3 P51677 4/20 0.38
CHRM2 P08172 2/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ALOX12 P18054 1/20 0.36
NR4A2 P43354 2/20 0.36
RXFP2 Q8WXD0 1/20 0.35
CCR2 P41597 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6988752 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6986644 0.82 F10 (0.43) ALDH1A1F10CHRM2
SCHEMBL6990232 0.80 PYGL (0.42) SMYD3
SCHEMBL6987482 0.80 SMYD3 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6986945 0.78 F10 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL6985167 0.78 F10 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6987891 0.75 F10 (0.38) KDM4EALDH1A1F10CCR3
SCHEMBL6982644 0.75 F10 (0.38) F10CCR3CHRM2
SCHEMBL5868197 0.74 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868023 0.73 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDHSD17B10

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