SCHEMBL11575783

SCHEMBL11575783

C=CC(C#N)C1C=Cc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31
ATM Q13315 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
SCHEMBL2527441 0.76 HTR6 (0.33) HTR6HTR2A
SCHEMBL11574136 0.76 HTR2A (0.36) HTR6HTR2A
SCHEMBL11038886 0.73 CHRNB4 (0.38) HTR6HTR2AATM
SCHEMBL9056494 0.72 HTR2A (0.38) HTR6HTR2A
SCHEMBL8070385 0.72 HTR6 (0.33) HTR6HTR2AATM
SCHEMBL9568818 0.70 HTR2A (0.32) HTR2A
SCHEMBL27261195 0.69 HTR2A (0.35) HTR6HTR2A
SCHEMBL668104 0.69 SIGMAR1 (0.38) HTR6HTR2A
SCHEMBL6752383 0.69 HTR2A (0.38) HTR6HTR2A
SCHEMBL8368203 0.69 HTR2A (0.38) HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172945-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-10-30 US disclosed
US-4138497-A Indanpentol derivatives for treating hypertension E. R. SQUIBB & SONS, INC. (US) 1979-02-06 US disclosed
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4053596-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 US disclosed