SCHEMBL7429670

SCHEMBL7429670

CC(C)CC(C(=O)O)N(CCn1ccn(CCc2ccccc2F)c1=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
AOC3 Q16853 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
DAO P14920 1/20 0.32
SLC1A2 P43004 1/20 0.32
THRB P10828 1/20 0.32
GNRHR P30968 1/20 0.32
LIPE Q05469 1/20 0.31
CASR P41180 1/20 0.31

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
SCHEMBL7426141 0.82 TAAR1 (0.38) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7424533 0.78 AOC3 (0.39) AOC3MEN1KMT2AALDH1A1KDM4E
SCHEMBL5869421 0.76 MMP1 (0.39)
SCHEMBL5869411 0.76 MMP1 (0.39)
SCHEMBL5869408 0.76 MMP1 (0.39)
SCHEMBL7374943 0.73 CYP11B1 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL7429682 0.71 NTSR1 (0.37) NPSR1
SCHEMBL7378945 0.71 MEN1 (0.48) AOC3MEN1KMT2ATAAR1
SCHEMBL7423305 0.69 POLQ (0.45) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL3686724 0.68 CYP11B1 (0.35)

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed