SCHEMBL3115994

SCHEMBL3115994

c1ccc(C2CCN(C3CCNCC3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC18A3 Q16572 6/20 0.56
SIGMAR1 Q99720 2/20 0.56
GRIN2B Q13224 3/20 0.53
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 1/20 0.49
AGTR2 P50052 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3128864 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL3120519 0.80 SLC18A3 (0.56) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL3120525 0.80 SLC18A3 (0.56) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL4072060 0.80 SLC18A3 (0.64) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL3121558 0.80 SLC18A3 (0.56) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL4068642 0.79 SLC18A3 (0.62) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL28189615 0.78 SLC18A3 (0.53) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL28189614 0.78 SLC18A3 (0.53) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL28268668 0.78 SLC18A3 (0.53) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1
SCHEMBL21121132 0.78 HPGD (0.65) SMN1; SMN2HPGDKMT2ASLC18A3SIGMAR1

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed