SCHEMBL6894962

SCHEMBL6894962

O=Cc1cccc(OCCOc2nccnc2N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
KDM4E B2RXH2 2/20 0.38
TRPA1 O75762 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
PDGFRB P09619 1/20 0.36
SLC6A7 Q99884 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4011301 0.86 GPR119 (0.46) TRPA1POLB
SCHEMBL4317148 0.86 KDM4E (0.41) KDM4ETRPA1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4328938 0.85 PDGFRB (0.47) KDM4ETRPA1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4317802 0.84 MAOA (0.40) MAOAMAOBKDM4EALDH1A1NPC1
SCHEMBL7718355 0.83 SLC6A7 (0.38) MAOAMAOBSMN1; SMN2MAPK1NPC1
SCHEMBL4145727 0.81 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL4313498 0.77 TRPA1 (0.37) KDM4ETRPA1NPC1KMT2AMAPT
SCHEMBL6201938 0.77 TSHR (0.51) MAOAMAOBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15156267 0.75 MEN1 (0.60) MAOAMAOBKDM4EALDH1A1NPC1
SCHEMBL4324601 0.75 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1MAPK1TSHR

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
US-6756377-B2 PIPERAZINYL)-3-(2-(3-(4-MORPHOLINYLMETHYL)PHENOXY)ETHOXY) PYRAZINE DERIVATIVES; FOR PROPHYLAXIS OR TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM AB (SE) 2004-06-29 US disclosed
EP-1337518-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB (SE) 2003-08-27 EP disclosed
WO-2002040457-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed