SCHEMBL6929073

SCHEMBL6929073

CCCN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
ESR1 P03372 1/20 0.47
DRD2 P14416 2/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 5/20 0.41
FPR2 P25090 3/20 0.40
PROKR1 Q8TCW9 3/20 0.40
KDM2B Q8NHM5 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 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
SCHEMBL20205993 0.88 SLC6A4 (0.49) HRH3ESR1SLC6A4SLC6A2SLC6A3
SCHEMBL18170322 0.85 ESR1 (0.49) HRH3ESR1DRD2SLC6A4KDM2B
SCHEMBL18200131 0.84 CARM1 (0.49) HRH3ESR1DRD2SLC6A4SLC6A2
SCHEMBL6636548 0.83 SIGMAR1 (0.45) HRH3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5333626 0.83 SIGMAR1 (0.45) HRH3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5222212 0.82 SLC6A4 (0.40) ESR1SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL18170287 0.81 HRH3 (0.45) HRH3ESR1DRD2KDM2B
SCHEMBL5218296 0.79 HTR2C (0.37) HRH3ESR1SLC6A4SLC6A2SLC6A3
SCHEMBL5218302 0.79 ALPG (0.38) HRH3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL6689767 0.78 SIGMAR1 (0.39) HRH3SLC6A4SLC6A2SLC6A3SIGMAR1

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
US-6514961-B1 Such as anxiety and all forms of epilepsy, particularly in humans VERNALIS RESEARCH LIMITED (GB) 2003-02-04 US disclosed