SCHEMBL3830338

SCHEMBL3830338

Oc1cc2c(cc1Cl)CCNCC2

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.71
ADCY3 O60266 1/20 0.71
ADCY9 O60503 1/20 0.71
ADCY5 O95622 1/20 0.71
ADCY8 P40145 1/20 0.71
ADCY7 P51828 1/20 0.71
ADCY2 Q08462 1/20 0.71
ADCY1 Q08828 1/20 0.71
ADCY4 Q8NFM4 1/20 0.71
DRD2 P14416 5/20 0.50
DRD1 P21728 5/20 0.50
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
HTR2B P41595 5/20 0.50
PNMT P11086 1/20 0.46
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL5793449 0.84 ADCY6 (1.00) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL11167892 0.81 ADCY6 (0.95) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL10157969 0.79 ALDH1A1 (0.48) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8262665 0.77 DRD2 (0.47) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8652483 0.75 DRD2 (0.55) ADCY6ADCY3ADCY9ADCY5ADCY8
Triclofenol SCHEMBL636779 0.75 TSHR (0.70) ADCY6ADCY3ADCY9ADCY5ADCY8
Triclofenol SCHEMBL31265379 0.75 TSHR (0.70) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL13672966 0.74 HTR2C (0.59) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6304719 0.74 HTR2C (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL13679036 0.74 ADCY6 (0.71) ADCY6ADCY3ADCY9ADCY5ADCY8

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
EP-1833473-B1 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2009-09-09 EP disclosed