SCHEMBL3124665

SCHEMBL3124665

Fc1ccccc1C1CCNCC1.N#Cc1ccc(C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR1A P08908 7/20 0.47
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 5/20 0.47
HTR2C P28335 8/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
KDM1A O60341 1/20 0.42
P2RY14 Q15391 1/20 0.40

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
SCHEMBL718308 0.83 SLC18A3 (0.57) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30368779 0.83 HTR1A (0.61) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL233327 0.83 HTR1A (0.61) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30010417 0.81 HTR2C (0.61) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1765243 0.81 HTR2C (0.61) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7617662 0.81 SLC18A3 (0.55) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21527353 0.77 CHRNA1 (0.49) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL12489074 0.77 DRD2 (0.51) SLC18A3SIGMAR1HTR2CJAK2JAK3
SCHEMBL3333986 0.73 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL29698867 0.73 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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