SCHEMBL11558397

SCHEMBL11558397

c1ccc2c(c1)CO[C@H]1CCNC[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36
KCNH2 Q12809 4/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL11560207 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BTAAR1KCNH2
SCHEMBL11558186 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BTAAR1KCNH2
SCHEMBL29960816 0.91 HTR2A (0.37) HTR2CHTR2AHTR2BTAAR1KCNH2
Hydrochloric Acid SCHEMBL29960697 0.89 TAAR1 (0.37) HTR2CHTR2AHTR2BTAAR1KCNH2
SCHEMBL11564664 0.87 HTR6 (0.40) HTR2CHTR2AHTR2BTAAR1
SCHEMBL10371550 0.76 LMNA (0.39) HTR2CHTR2AHTR2B
SCHEMBL3030871 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2SLC6A2
SCHEMBL3028822 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2SLC6A2
SCHEMBL3030877 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2SLC6A2
SCHEMBL8066231 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132709-A [2]Benzopyrano[4,3-c]pyridine derivatives and process therefor AYERST, MCKENNA & HARRISON, LTD. (CA) 1979-01-02 US claimed
US-4132709-A [2]Benzopyrano[4,3-c]pyridine derivatives and process therefor AYERST, MCKENNA & HARRISON, LTD. (CA) 1979-01-02 US disclosed