SCHEMBL5190932

SCHEMBL5190932

O=C(CC1CCCCN1)NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 3/20 0.48
P2RX7 Q99572 2/20 0.47
GLA P06280 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GHSR Q92847 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
PLA2G1B P04054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
F2 P00734 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5779414 0.86 SRC (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5194007 0.81 ERCC1 (0.49) EPHX2NPC1RAB9AMAPTALOX12
SCHEMBL5192841 0.78 RAB9A (0.65) NPC1RAB9AHTTALDH1A1HPGD
SCHEMBL5191103 0.78 RAB9A (0.51) NPC1RAB9AMEN1ALDH1A1HPGD
SCHEMBL5191447 0.77 HPGD (0.57) NPC1RAB9AHTTL3MBTL1MEN1
SCHEMBL7309411 0.77 HTR2C (0.67) MAPTALOX12P2RX7GLATAAR1
SCHEMBL6990304 0.76 POLB (0.66) EPHX2GHSRF2
SCHEMBL29813025 0.76 POLB (0.66) EPHX2GHSRF2
SCHEMBL20828207 0.76 POLB (0.66) EPHX2GHSRF2
SCHEMBL11478700 0.75 POLB (0.64) EPHX2NPC1RAB9AMAPTALOX12

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