SCHEMBL18648665

SCHEMBL18648665

BN1CCOc2cc3c(cc21)CCNCC3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
HTR2C P28335 6/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR2B P41595 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL12107337 0.81 AR (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL18648574 0.81 ADCY6 (0.36) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12107395 0.77 AR (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL14552356 0.77 CDK4 (0.39) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12107798 0.75 ADCY6 (0.35) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12108483 0.75 AR (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12107711 0.75 HTR6 (0.40) HTR2CHTR2AHTR6ADRB1HTR2B
SCHEMBL2311279 0.75 PDE3B (0.47) HTR2CHTR6HTR2B
SCHEMBL12108068 0.74 AR (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12107666 0.74 HTR2C (0.36) 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
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed