SCHEMBL4375683

SCHEMBL4375683

Cc1cc(N[C@@H](C)c2ccccc2)nc(NCCc2cccc(Br)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.56
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL4375545 0.85 HTR7 (0.54) HTR7LMNASMN1; SMN2HTTMAPK1
SCHEMBL7006351 0.84 HTR7 (0.61) HTR7LMNASMN1; SMN2HTTMAPK1
SCHEMBL4381740 0.83 HTR7 (0.49) HTR7LMNAALDH1A1TSHRMAPT
SCHEMBL4374516 0.82 HTR7 (0.51) HTR7LMNASMN1; SMN2HTTMAPK1
SCHEMBL4374781 0.82 HTR7 (0.69) HTR7
SCHEMBL7014074 0.81 HTR7 (0.54) HTR7MAPTNPSR1SLC2A1
SCHEMBL4375523 0.81 HTR7 (0.56) HTR7ALDH1A1MAPTNPSR1SLC2A1
SCHEMBL7013657 0.77 HTR7 (0.48) HTR7MAPTNPSR1SLC2A1
SCHEMBL13329874 0.75 LMNA (0.66) HTR7LMNASMN1; SMN2HTTMAPK1
SCHEMBL7006872 0.73 HTR7 (0.81) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed