SCHEMBL10409331

SCHEMBL10409331

NCCc1cccc(SSc2cccc(CCN)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.69
HTR2C P28335 1/20 0.69
TAAR1 Q96RJ0 10/20 0.55
DRD2 P14416 3/20 0.55
DRD1 P21728 3/20 0.55
HTR2A P28223 2/20 0.50
CYP2A6 P11509 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
NOS1 P29475 2/20 0.46
HTR7 P34969 1/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.42
MAPT P10636 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42

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
SCHEMBL6796172 0.83 HTR6 (0.65) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL30289727 0.83 HTR6 (0.65) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL16935718 0.82 LOXL2 (0.52) HTR6HTR2CTAAR1SMN1; SMN2LOXL2
SCHEMBL659100 0.81 TAAR1 (0.70) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL16293753 0.79 HTR6 (0.69) HTR6HTR2CTAAR1DRD2DRD1
Hydrochloric Acid SCHEMBL3957562 0.79 TAAR1 (0.67) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL7845531 0.78 TDP1 (0.50) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL9189880 0.78 HTR2C (0.44) HTR6HTR2CTAAR1DRD2DRD1
Bromide SCHEMBL16295457 0.77 HTR6 (0.67) HTR6HTR2CTAAR1DRD2DRD1
SCHEMBL577175 0.76 TAAR1 (0.57) HTR6HTR2CTAAR1DRD2DRD1

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-4957989-A ANTIFOULING AGENT FOR SHIP BOTTOMS, NONTOXIC TOSHIBA SILICONE CO., LTD. (JP) 1990-09-18 US disclosed