SCHEMBL7131580

SCHEMBL7131580

Clc1ccc2c(NC3C[CH]CCC3)ccnc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.76
KMT5C Q86Y97 2/20 0.76
NSD2 O96028 1/20 0.63
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
NR4A2 P43354 1/20 0.50
CYP1A2 P05177 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CCR1 P32246 1/20 0.48
FERMT2 Q96AC1 1/20 0.46

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
SCHEMBL4963680 0.87 KMT5B (0.80) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL12871473 0.85 KMT5B (0.97) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7206511 0.84 KMT5B (0.84) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7205699 0.84 KMT5B (0.84) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7205774 0.84 KMT5B (0.84) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7205707 0.84 KMT5B (0.84) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7207215 0.84 KMT5B (0.89) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872111 0.84 KMT5B (0.89) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872121 0.84 KMT5B (0.89) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7206080 0.81 KMT5B (0.79) KMT5BKMT5CNSD2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed