SCHEMBL28026925

SCHEMBL28026925

Fc1ccccc1C(F)(c1ccccc1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2C P28335 2/20 0.39
HTR1D P28221 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KCNN4 O15554 3/20 0.37
EPHX2 P34913 1/20 0.37
ADRB1 P08588 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 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
SCHEMBL7317038 0.85 SIGMAR1 (0.46) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL1514817 0.76 ADRB1 (0.40) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL9202300 0.71 CHRM2 (0.46) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL569963 0.70 SIGMAR1 (0.48) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL7769823 0.70 KCNN4 (0.48) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL16672397 0.69 SIGMAR1 (0.41) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL8411629 0.69 SIGMAR1 (0.47) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL9090858 0.69 SIGMAR1 (0.47) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL16052072 0.68 SIGMAR1 (0.41) SIGMAR1HTR3AHTR3EHTR3BHTR3D
SCHEMBL9530943 0.67 SIGMAR1 (0.46) SIGMAR1HTR3AHTR3EHTR3BHTR3D

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
CN-105175359-A Lomerizine Hydrochloride isomeride and preparation method therefor SICHUAN BAICAO BIOLOG PHARMACEUTICAL CO LTD 2015-12-23 CN claimed
CN-105175359-A Lomerizine Hydrochloride isomeride and preparation method therefor SICHUAN BAICAO BIOLOG PHARMACEUTICAL CO LTD 2015-12-23 CN disclosed