SCHEMBL5502776

SCHEMBL5502776

Oc1cc(Br)cc2c1N(C1CCN(Cc3ccccn3)CC1)c1ccccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
DRD4 P21917 1/20 0.38
PARP1 P09874 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCE Q02156 2/20 0.37
PIP5K1C O60331 1/20 0.37
RPS6KA5 O75582 1/20 0.37
RPS6KA4 O75676 1/20 0.37
STK16 O75716 1/20 0.37
PAK3 O75914 1/20 0.37
CDK14 O94921 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 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
SCHEMBL5513194 0.87 L3MBTL1 (0.46) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5503886 0.86 CHRM1 (0.41) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5118837 0.85 L3MBTL1 (0.43) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5507817 0.84 L3MBTL1 (0.51) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5505801 0.82 DRD4 (0.46) HRH3KDM4ESMN1; SMN2DRD4PARP1
SCHEMBL5504518 0.80 KDM1A (0.40) KDM4ECYP2D6CYP1A2
SCHEMBL5504478 0.80 CYP2D6 (0.41) HRH3SMN1; SMN2PIM1CYP2D6CYP1A2
SCHEMBL5506174 0.76 KDM1A (0.35) SMN1; SMN2PIM1KMT2A
SCHEMBL5112122 0.75 CHRM1 (0.46) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5112936 0.73 DRD2 (0.40) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6

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-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed