SCHEMBL28035394

SCHEMBL28035394

CCC(=O)NC1CC1c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM1A O60341 7/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAOB P27338 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 1/20 0.42
F2RL1 P55085 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20187076 0.82 KDM1A (0.51) SMN1; SMN2NPSR1KDM1AHTR2AHTR2C
SCHEMBL8334238 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL25695438 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1KDM1AMAOBHRH3
Hydrochloric Acid SCHEMBL28626845 0.81 SMN1; SMN2 (0.66) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL8104288 0.78 HTR2C (0.52) GAAKDM1AHTR2AHTR2CHTR2B
SCHEMBL8104287 0.78 HTR2C (0.52) GAAKDM1AHTR2AHTR2CHTR2B
SCHEMBL15776493 0.78 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BMAOB
SCHEMBL21048167 0.77 KDM1A (0.57) SMN1; SMN2NPSR1KDM1AHTR2AHTR2C
SCHEMBL20453815 0.77 IDO1 (0.39) GAASMN1; SMN2NPSR1KDM1AMAOB
SCHEMBL26791810 0.75 DPP4 (0.48) SMN1; SMN2NPSR1KDM1AMAOBHRH3

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
CN-105120869-A Treatment of ocular disorders KADMON CORP LLC 2015-12-02 CN disclosed
CN-105101996-A Treatment of ocular disorders KADMON CORP LLC 2015-11-25 CN disclosed