SCHEMBL692372

SCHEMBL692372

Nc1ccc2c(c1)NC(=O)CC1CN(C(=O)O)CCN21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.35
SIGMAR1 Q99720 5/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GFER P55789 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
YWHAG P61981 1/20 0.33
HTT P42858 1/20 0.33
SMYD3 Q9H7B4 7/20 0.33
HTR2C P28335 1/20 0.32

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
SCHEMBL691717 0.86 MDM2 (0.37) SIGMAR1HTR2C
SCHEMBL31543885 0.85 NR1H2 (0.43) SIGMAR1KDM4EMAPTTHRB
SCHEMBL2017721 0.85 NR1H2 (0.43) SIGMAR1KDM4EMAPTTHRB
SCHEMBL691094 0.83 SIGMAR1 (0.43) SIGMAR1KDM4EKMT2AGAAMEN1
SCHEMBL3723983 0.82 LMNA (0.42) KMT2AGAATDP1MEN1MAPT
SCHEMBL3723985 0.82 LMNA (0.42) KMT2AGAATDP1MEN1MAPT
SCHEMBL691883 0.81 HTR2C (0.41) SIGMAR1KDM4EKMT2AMEN1HTR2C
SCHEMBL3630035 0.80 BRD4 (0.39) SIGMAR1KMT2AGAASMYD3
SCHEMBL3626167 0.80 BRD4 (0.39) SIGMAR1KMT2AGAASMYD3
SCHEMBL16819095 0.79 TSHR (0.38) SIGMAR1KMT2AMEN1MAPTHTT

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
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed