SCHEMBL8855253

SCHEMBL8855253

Clc1cccc(C[CH]c2ccccc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 4/20 0.40
CYP3A4 P08684 2/20 0.40
AGXT P21549 2/20 0.40
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL9355554 0.80 MAOB (0.46) ALDH1A1MEN1KMT2A
SCHEMBL6190936 0.79 MAPT (0.44) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL27652264 0.75 GRIN2B (0.49) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL19437175 0.75 HTR6 (0.41) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL7801553 0.73 TAAR1 (0.61) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL4946932 0.73 HSD11B1 (0.37) TAAR1IDO1ALDH1A1
SCHEMBL6031658 0.73 CHRM5 (0.53) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL27927705 0.72 PNMT (0.48) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL7372584 0.70 PNMT (0.52) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL167780 0.70 PNMT (0.56) PNMTHTR3EHTR3BHTR3AHTR3D

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-5629319-A QUINDOLINE ALKALOIDS SHAMAN PHARMACEUTICALS, INC. (US) 1997-05-13 US claimed