SCHEMBL7513232

SCHEMBL7513232

CN(C)CCCNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.57
FPR3 P25089 3/20 0.57
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CNR1 P21554 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL12961110 0.92 HTT (0.61) POLBHTTALDH1A1KDM4ECNR1
SCHEMBL24381846 0.91 POLB (0.65) FPR2FPR3POLBHTTALDH1A1
SCHEMBL14608288 0.86 HTT (0.56) POLBHTTALDH1A1KDM4ECNR1
SCHEMBL16383171 0.86 HTT (0.56) POLBHTTALDH1A1CNR1HDAC3
SCHEMBL7505669 0.85 CNR1 (0.63) POLBHTTCNR1NPC1RAB9A
SCHEMBL14574172 0.85 HTT (0.55) POLBHTTALDH1A1HDAC3HDAC4
SCHEMBL7507650 0.84 EPHX1 (0.65) POLBHTTALDH1A1KDM4ECNR1
SCHEMBL27911572 0.84 ALDH1A1 (0.58) FPR2FPR3ALDH1A1KDM4ECNR1
SCHEMBL15344370 0.84 NAMPT (0.56) POLBHTTHDAC3HDAC4HDAC1
SCHEMBL4116418 0.83 MEN1 (0.52) FPR2FPR3POLBHTTCNR1

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-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO disclosed