SCHEMBL11564664

SCHEMBL11564664

c1ccc2c(c1)COC1CNCCC21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36

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 0.87 HTR2C (0.39) HTR2AHTR2CHTR2BTAAR1
SCHEMBL11558397 0.87 HTR2C (0.39) HTR2AHTR2CHTR2BTAAR1
SCHEMBL11558186 0.87 HTR2C (0.39) HTR2AHTR2CHTR2BTAAR1
SCHEMBL29960816 0.81 HTR2A (0.37) HTR2AHTR2CHTR2BTAAR1
Hydrochloric Acid SCHEMBL29960697 0.80 TAAR1 (0.37) HTR2AHTR2CHTR2BTAAR1
SCHEMBL10371550 0.76 LMNA (0.39) HTR2AHTR2CHTR2B
SCHEMBL2226246 0.73 HTR6 (0.58) HTR6HTR2AHTR2CHTR2B
SCHEMBL20045526 0.73 HTR6 (0.58) HTR6HTR2AHTR2CHTR2B
SCHEMBL17123749 0.73 HTR2A (0.38) HTR2AHTR2C
SCHEMBL11373905 0.73 HTR2A (0.44) HTR2AHTR2CHTR2BTAAR1

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-4132710-A DIURETICS, ANOREXICS, ANTIDEPRESSANTS, ANTICONVULSANTS, & ANTIHYPERTENSIVE AGENTS AYERST, MCKENNA AND HARRISON, LTD. (CA) 1979-01-02 US disclosed
US-4132710-A DIURETICS, ANOREXICS, ANTIDEPRESSANTS, ANTICONVULSANTS, & ANTIHYPERTENSIVE AGENTS AYERST, MCKENNA AND HARRISON, LTD. (CA) 1979-01-02 US disclosed