SCHEMBL14527153

SCHEMBL14527153

C[C@@H](N)Cn1ccc2cc(OCC#N)ccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 18/20 0.69
▸ HTR2A P28223 16/20 0.57
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39

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
SCHEMBL14527161 0.90 HTR2C (0.57) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL1436098 0.77 HTR2C (0.64) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25420142 0.77 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25420145 0.77 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL30488389 0.77 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL31494780 0.75 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25630091 0.75 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL9202067 0.74 HDAC6 (0.45) —
SCHEMBL31494797 0.74 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25630090 0.74 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

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-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 — — US disclosed
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