SCHEMBL9262224

SCHEMBL9262224

Cc1[nH]c2ccc(Cl)cc2c1C(C)(C)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.50
▸ SIRT1 Q96EB6 3/20 0.50
▸ HTR7 P34969 3/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAP3K14 Q99558 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR3A P46098 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR1B P28222 1/20 0.40

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
SCHEMBL9267967 0.79 HTR1D (0.62) HTR6HTR7HTR2BCYP1A2HPGD
SCHEMBL4241023 0.78 AHR (0.48) HTR6LMNACYP1A2GAAHPGD
SCHEMBL28750432 0.75 HTR6 (0.68) HTR6SIRT1HTR7ADRA2AADRA2B
SCHEMBL18370061 0.74 HTR6 (0.63) HTR6SIRT1HTR7ADRA2AADRA2B
SCHEMBL23657217 0.74 HTR6 (0.67) HTR6SIRT1HTR7ADRA2AADRA2B
Hydrochloric Acid SCHEMBL892350 0.74 HTR6 (0.67) HTR6SIRT1HTR7ADRA2AADRA2B
SCHEMBL9257404 0.73 HTR6 (0.57) HTR6SIRT1HTR7ADRA2AADRA2B
Hydrochloric Acid SCHEMBL23649325 0.73 HTR6 (0.65) HTR6SIRT1HTR7ADRA2AADRA2B
SCHEMBL3632803 0.72 LMNA (0.53) HTR6SIRT1HTR7ADRA2AADRA2B
Cyanide SCHEMBL28561199 0.72 HTR6 (0.63) HTR6SIRT1HTR7ADRA2AADRA2B

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-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — US disclosed
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