SCHEMBL2479416

SCHEMBL2479416

O=C(O)N1CC(c2ccc(F)c(F)c2)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 1/20 0.38
USP30 Q70CQ3 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAOB P27338 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL2460884 0.85 KDM1A (0.39) KDM1AHTR2AHTR2CHTR2BUSP30
SCHEMBL15397624 0.73 KDM1A (0.41) KDM1AHTR2AHTR2CHTR2BTSHR
SCHEMBL556475 0.72 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2B
SCHEMBL556953 0.72 KDM1A (0.37) KDM1AHTR2AHTR2CHTR2B
SCHEMBL2458434 0.72 FFAR2 (0.39) KDM1A
SCHEMBL3810985 0.71 KDM1A (0.40) KDM1AUSP30ABCB1ABCG2
SCHEMBL12979087 0.71 KDM1A (0.40) KDM1AUSP30ABCB1ABCG2
SCHEMBL18272446 0.70 FFAR1 (0.50) KDM1AHTR2AHTR2CHTR2B
SCHEMBL12915852 0.70 FFAR1 (0.50) KDM1AHTR2AHTR2CHTR2B
SCHEMBL248384 0.70 FFAR1 (0.50) KDM1AHTR2AHTR2CHTR2B

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
EP-2367785-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed