SCHEMBL27490227

SCHEMBL27490227

Cln1cc(C2CCNCC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.57
HTR2C P28335 8/20 0.47
ADRB2 P07550 1/20 0.47
CAMK2D Q13557 1/20 0.45
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HTR1A P08908 2/20 0.40
APP P05067 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL28061385 0.98 HTR6 (0.56) HTR6HTR2CADRB2CAMK2DSLC18A3
SCHEMBL14141311 0.84 HTR6 (0.57) HTR6HTR2CADRB2CAMK2DSLC18A3
SCHEMBL27477642 0.81 HTR6 (0.57) HTR6HTR2CADRB2CAMK2DSLC18A3
SCHEMBL27494994 0.81 HTR6 (0.57) HTR6HTR2CADRB2CAMK2DSLC18A3
SCHEMBL5937271 0.81 HTR6 (0.57) HTR6HTR2CADRB2CAMK2DSLC18A3
Hydrochloric Acid SCHEMBL5705102 0.79 SLC6A4 (0.57) HTR6HTR2CADRB2CAMK2DGABRA1
Hydrochloric Acid SCHEMBL30611185 0.79 SLC6A4 (0.57) HTR6HTR2CADRB2CAMK2DGABRA1
SCHEMBL9836998 0.78 HTR6 (0.61) HTR6HTR2CADRB2CAMK2DSLC18A3
SCHEMBL14280694 0.78 SMO (0.55) HTR6HTR2CGABRA1GABRB2HTR1A
SCHEMBL8316249 0.77 HTR6 (0.53) HTR6HTR2CADRB2CAMK2DSLC6A4

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
CN-1178530-A Compounds having an effect on 5-hydroxytryptamine related systems LILLY CO ELI (US) 1998-04-08 CN disclosed