SCHEMBL5793449

SCHEMBL5793449

Oc1cc2c(cc1O)CCNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 2/20 1.00
ADCY3 O60266 2/20 1.00
ADCY9 O60503 2/20 1.00
ADCY5 O95622 2/20 1.00
ADCY8 P40145 2/20 1.00
ADCY7 P51828 2/20 1.00
ADCY2 Q08462 2/20 1.00
ADCY1 Q08828 2/20 1.00
ADCY4 Q8NFM4 2/20 1.00
DRD1 P21728 7/20 0.48
DRD2 P14416 5/20 0.48
HTR2C P28335 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 4/20 0.47
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAOA P21397 2/20 0.47
TSHR P16473 1/20 0.47

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
Bromide SCHEMBL11167892 0.97 ADCY6 (0.95) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL30578817 0.87 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL232676 0.87 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL30578821 0.87 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL3322965 0.85 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL3503361 0.85 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL3830338 0.84 ADCY6 (0.71) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL13679036 0.84 ADCY6 (0.71) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL10702272 0.79 ADCY5 (0.63) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL29924694 0.78 ADCY6 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411881-B9 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2006-11-15 EP disclosed
EP-1411881-B1 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2005-05-04 EP disclosed
US-4187314-A DOPAMINERGIC ACTIVITY SMITHKLINE CORPORATION (US) 1980-02-05 US disclosed
US-4111957-A DOPAMINERGIC SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed