SCHEMBL4381740

SCHEMBL4381740

COc1ccc(CCNc2nc(C)cc(N[C@@H](C)c3ccccc3)n2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.49
USP2 O75604 1/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
APP P05067 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 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
SCHEMBL4375523 0.85 HTR7 (0.56) HTR7MAPTALDH1A1
SCHEMBL4375545 0.83 HTR7 (0.54) HTR7LMNATSHRMAPTALDH1A1
SCHEMBL7014074 0.83 HTR7 (0.54) HTR7MAPT
SCHEMBL7013657 0.83 HTR7 (0.48) HTR7MAPT
SCHEMBL4375683 0.83 HTR7 (0.56) HTR7USP2LMNATSHRMAPT
SCHEMBL7006351 0.82 HTR7 (0.61) HTR7USP2LMNATSHRMAPT
SCHEMBL4374516 0.74 HTR7 (0.51) HTR7LMNAMAPTKDM4EPOLB
SCHEMBL7014716 0.73 ALDH1A1 (0.41) HTR7BCHEACHELMNAMAPT
SCHEMBL4574697 0.71 LMNA (0.47) USP2BCHEACHELMNATSHR
SCHEMBL4376798 0.71 ALDH1A1 (0.43) MAPTAPPGAAALDH1A1PKM

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 disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed