SCHEMBL8592012

SCHEMBL8592012

O=C(CBr)C1(Cc2ccccc2)CCN(Cc2ccccc2)C(Br)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4629950 0.80 L3MBTL1 (0.53) L3MBTL1HTTSMN1; SMN2SIGMAR1ALDH1A1
Bromide SCHEMBL7749201 0.79 L3MBTL1 (0.52) L3MBTL1HTTSMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL8588940 0.72 LMNA (0.41) GRM6LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL4631263 0.67 CYP2D6 (0.56) L3MBTL1SMN1; SMN2SIGMAR1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL20212096 0.66 POLB (0.56) L3MBTL1SMN1; SMN2SIGMAR1ALDH1A1GAA
SCHEMBL4630748 0.65 CYP2D6 (0.61) L3MBTL1SMN1; SMN2ALDH1A1GAACYP2D6
SCHEMBL1771293 0.65 KDM4E (0.53) LMNAL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL18203100 0.65 L3MBTL1 (0.63) LMNAL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL9768219 0.65 GSK3B (0.44) LMNASMN1; SMN2OPRM1ALDH1A1
SCHEMBL28041842 0.65 RGS4 (0.41) L3MBTL1SIGMAR1ALDH1A1GAA

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
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed