SCHEMBL5194007

SCHEMBL5194007

O=C(CC1CCCCN1)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.49
ERCC4 Q92889 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
P2RX7 Q99572 7/20 0.47
F2 P00734 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL5190932 0.81 EPHX2 (0.52) MAPTALDH1A1MEN1HPGDALOX12
SCHEMBL5193944 0.76 LMNA (0.48) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL5195925 0.75 KMT2A (0.58) ALDH1A1MEN1HPGDKMT2A
SCHEMBL13882047 0.73 P2RX7 (0.61) LMNAMAPTALDH1A1MEN1ALPL
SCHEMBL5192841 0.73 RAB9A (0.65) LMNAALDH1A1HPGDHTTKMT2A
SCHEMBL5191103 0.73 RAB9A (0.51) LMNAALDH1A1MEN1HPGDKMT2A
SCHEMBL5191447 0.72 HPGD (0.57) ALDH1A1MEN1HPGDHTTKMT2A
SCHEMBL12354898 0.72 ALDH1A1 (0.74) ERCC1ERCC4LMNAMAPTALDH1A1
SCHEMBL5297611 0.72 HTR6 (0.46)
SCHEMBL2260332 0.72 CHRM1 (0.61) HTTP2RX7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed