SCHEMBL8328706

SCHEMBL8328706

COc1ccccc1CCCCOc1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 7/20 0.46
DRD3 P35462 7/20 0.46
TP53 P04637 6/20 0.46
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8329528 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8329392 0.81 KDM4E (0.63) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8085582 0.80 DRD2 (0.74) MAPTSMN1; SMN2LMNADRD2DRD3
SCHEMBL29608207 0.80 DRD2 (0.74) MAPTSMN1; SMN2LMNADRD2DRD3
SCHEMBL8085594 0.79 SMN1; SMN2 (0.64) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7318618 0.78 SMN1; SMN2 (0.65) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL8085463 0.78 DRD2 (0.67) MAPTNPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL8091842 0.77 DRD2 (0.66) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3426740 0.76 NPC1 (1.00) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL8078654 0.75 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2NFKB1

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-0935599-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-08-18 EP disclosed
WO-1998018797-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-05-07 WO disclosed