SCHEMBL3129196

SCHEMBL3129196

Clc1cccc(OC2CC[N]CC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.41
SLC6A2 P23975 10/20 0.41
SLC6A3 Q01959 9/20 0.41
HTR1A P08908 3/20 0.40
SCD O00767 3/20 0.39
KCNH2 Q12809 2/20 0.38
RHEB Q15382 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CYP2D6 P10635 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2297386 0.86 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3SCDKCNH2
SCHEMBL2301329 0.82 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3HTR1ASCD
SCHEMBL3080032 0.79 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3HTR1AKCNH2
Hydrochloric Acid SCHEMBL4095144 0.78 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR1AKCNH2
SCHEMBL5467968 0.77 DRD2 (0.46) SLC6A4SCDALDH1A1
SCHEMBL3121102 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3SCD
Hydrochloric Acid SCHEMBL5467688 0.76 DRD2 (0.45) SCDALDH1A1
SCHEMBL14957210 0.75 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL9913817 0.74 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3HTR1AKCNH2
SCHEMBL9913885 0.74 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3HTR1AKCNH2

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