SCHEMBL9385608

SCHEMBL9385608

CCCn1nnn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
MAPT P10636 6/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
USP2 O75604 2/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
DCTPP1 Q9H773 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 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
SCHEMBL11069441 0.79 MAPT (0.64) DRD2MAPTTP53KDM4EALDH1A1
SCHEMBL9386389 0.78 DRD2 (0.56) DRD2MAPTTP53TDP1ALDH1A1
SCHEMBL11072138 0.78 L3MBTL1 (0.61) DRD2MAPTALDH1A1POLBLMNA
SCHEMBL4670427 0.75 ADORA2B (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL5915124 0.74 DRD2 (1.00) DRD2HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL9384727 0.74 ADORA2B (0.40) MAPTKDM4EALDH1A1LMNAGFER
SCHEMBL10466230 0.73 DRD2 (0.50) DRD2MAPTTP53TDP1ALDH1A1
Hydrochloric Acid SCHEMBL11218267 0.73 DRD2 (0.97) DRD2HSD17B10KMT2AMEN1
SCHEMBL9038067 0.73 DRD2 (0.59) DRD2MAPTTP53ALDH1A1USP2
SCHEMBL4672126 0.72 NPBWR1 (0.42) DRD2MAPTTDP1LMNASMN1; SMN2

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-0331232-B1 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA NV (BE) 1994-05-18 EP disclosed
US-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed
EP-0331232-A2 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-06 EP disclosed