SCHEMBL6583879

SCHEMBL6583879

CC1(C)C(=O)Nc2cc(OCCCCl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
MAOA P21397 6/20 0.40
PGR P06401 4/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAPK14 Q16539 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
SCHEMBL6585088 0.96 MAOB (0.47) MAOBPDK2PDK4MAOAPGR
SCHEMBL6584050 0.94 MAOB (0.46) MAOBPDK2PDK4MAOAPGR
SCHEMBL6584776 0.94 MAOB (0.48) MAOBPDK2PDK4MAOAPGR
SCHEMBL6583303 0.88 MAOB (0.61) MAOBPDK2PDK4PGRPSEN1
SCHEMBL6584839 0.84 MAOB (0.60) MAOBPDK2PDK4MAOAPGR
SCHEMBL10829230 0.83 MAOB (0.48) MAOBPDK2PDK4PGRBMPR1B
SCHEMBL6584678 0.83 MAOB (0.58) MAOBPDK2PDK4MAOAPGR
SCHEMBL6583223 0.82 MAOB (0.61) MAOBPDK2PDK4PGR
SCHEMBL4842368 0.78 PGR (0.57) MAOBPDK2PDK4MAOAPGR
SCHEMBL30642204 0.78 PGR (0.57) MAOBPDK2PDK4MAOAPGR

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-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed