SCHEMBL4729693

SCHEMBL4729693

O=C(Nc1cccc2ccccc12)N1CCCCNC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.59
HSD17B10 Q99714 8/20 0.59
ALDH1A1 P00352 7/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 2/20 0.56
TAAR1 Q96RJ0 1/20 0.55
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.47

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
SCHEMBL6852418 0.86 KDM4E (0.76) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL830750 0.85 KDM4E (0.74) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2384053 0.82 KDM4E (0.70) KDM4EHSD17B10ALDH1A1TSHRPOLB
Hydrochloric Acid SCHEMBL5492081 0.81 KDM4E (0.68) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL27979659 0.80 KDM4E (0.85) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL23951452 0.77 TRPV1 (0.56) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL1575067 0.75 KDM4E (0.60) KDM4EHSD17B10ALDH1A1TSHRPOLB
Piperidine SCHEMBL29006137 0.75 KDM4E (0.73) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2656688 0.74 KDM4E (0.62) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL1575064 0.74 KDM4E (0.62) KDM4EHSD17B10ALDH1A1TSHRPOLB

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
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed