SCHEMBL5318004

SCHEMBL5318004

OCC1CN(c2ccc(C(F)(F)F)cn2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ABL1 P00519 1/20 0.49
LMNA P02545 1/20 0.49
SCN9A Q15858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 4/20 0.44
HRH3 Q9Y5N1 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42

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
SCHEMBL1471145 0.89 SMN1; SMN2 (0.48) KDM4EABL1LMNASCN9ASMN1; SMN2
SCHEMBL24963024 0.83 SCN9A (0.42) SCN9AHTT
SCHEMBL1472680 0.83 KDM4E (0.49) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL1470405 0.83 KDM4E (0.49) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL1470403 0.83 KDM4E (0.49) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL16196909 0.82 KDM4E (0.48) KDM4EABL1LMNASCN9ASMN1; SMN2
SCHEMBL27734364 0.81 KDM4E (0.54) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL27734362 0.81 KDM4E (0.54) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL17035908 0.79 ADRB1 (0.60) KDM4EABL1LMNASMN1; SMN2HPGD
SCHEMBL231823 0.79 ADRB1 (0.60) KDM4EABL1LMNASMN1; SMN2HPGD

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
WO-2007076318-A2 CAMPHOR-DERIVED CXCR3 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076318-A2 CAMPHOR-DERIVED CXCR3 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed