SCHEMBL6859676

SCHEMBL6859676

O=C(NCc1ccccc1)C1(Nc2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
METAP2 P50579 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
CNR1 P21554 1/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4781784 0.91 ATM (0.47) MEN1KMT2AMETAP2RAB9APOLB
SCHEMBL6026586 0.88 RAB9A (0.51) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL16876727 0.88 L3MBTL1 (0.49) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6017363 0.88 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL16876689 0.87 TACR1 (0.43) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL16876692 0.85 TACR1 (0.45) ALDH1A1RAB9APOLBNPC1ATM
SCHEMBL16876714 0.82 GAA (0.51) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL16876706 0.81 TACR1 (0.46) MEN1KMT2AMETAP2ALDH1A1RAB9A
SCHEMBL16876710 0.80 TACR1 (0.48) MAPTNPSR1ALDH1A1ATMTACR1
SCHEMBL7823070 0.80 RAB9A (0.51) MEN1KMT2AMETAP2MAPTALDH1A1

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-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed