SCHEMBL15080728

SCHEMBL15080728

C[C@@H]1CN[C@@H](C)CN1Cc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PIM1 P11309 1/20 0.33

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
SCHEMBL10504025 0.86 SIGMAR1 (0.51) SIGMAR1MAPTFLT3TYRO3MERTK
SCHEMBL14188698 0.86 SIGMAR1 (0.51) SIGMAR1MAPTFLT3TYRO3MERTK
SCHEMBL3401749 0.84 ALDH1A1 (0.51) SIGMAR1MAPTFLT3TYRO3MERTK
SCHEMBL15292046 0.84 SIGMAR1 (0.50) SIGMAR1MAPTFLT3TYRO3MERTK
SCHEMBL13746302 0.84 ALDH1A1 (0.51) SIGMAR1MAPTFLT3TYRO3MERTK
SCHEMBL14401346 0.84 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1
SCHEMBL5058871 0.84 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1
SCHEMBL4678046 0.84 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1
SCHEMBL3165725 0.84 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1
SCHEMBL5060895 0.84 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1

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-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 US disclosed