SCHEMBL7828380

SCHEMBL7828380

COc1ccc(C(=O)Nc2c[c]ccc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.62
RAB9A P51151 7/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
MITF O75030 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
MAPT P10636 1/20 0.50
KLF5 Q13887 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL28133947 0.84 KCNK3 (0.67) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4141992 0.84 KMT2A (0.75) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL30786728 0.84 KMT2A (0.75) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL29627549 0.82 KMT2A (0.73) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL16149341 0.81 NPC1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5465598 0.80 RAB9A (0.64) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL7165213 0.79 RAB9A (0.70) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL16148074 0.77 NPC1 (0.69) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL14372468 0.77 CA12 (0.61)
SCHEMBL5466911 0.76 ALDH1A1 (0.64) NPC1RAB9AKMT2AMEN1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US claimed
CN-1158256-C Pyrrolidine derivatives-CCR-3 receptor antagonists - 2004-07-21 CN disclosed
CN-1331677-A Pyrrolidine derivatives-CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 WO disclosed