SCHEMBL10698534

SCHEMBL10698534

CCCN1CC=C(c2sc(N)nc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10696710 0.79 CHRM2 (0.45) KCNH2SIGMAR1
SCHEMBL10696447 0.77 PIK3CG (0.46)
SCHEMBL10697120 0.76 KDM4E (0.42) RECQLALDH1A1
Hydrochloric Acid SCHEMBL10699302 0.75 KDM4E (0.44) RECQLALDH1A1
SCHEMBL10333960 0.72 DRD4 (0.49) DRD2DRD4SIGMAR1ALDH1A1CYP3A4
SCHEMBL9728463 0.71 HTR6 (0.43) HTR6SIGMAR1
Hydrochloric Acid SCHEMBL9147375 0.69 ALDH1A1 (0.47) DRD2DRD4SIGMAR1ALDH1A1CYP3A4
SCHEMBL9728514 0.69 HTR6 (0.36) HTR6DRD2SIGMAR1
SCHEMBL10698637 0.68 HTR6 (0.40) HTR6SIGMAR1
SCHEMBL29363627 0.66 SIGMAR1 (0.60) DRD2DRD4SIGMAR1

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
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed