SCHEMBL8783174

SCHEMBL8783174

COc1ccc(C)cc1[C@@H]1CNC[C@@H]1CC#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8783180 1.00 HTR2C (0.39) HTR2CCHRNB2CHRNA4ALDH1A1LMNA
SCHEMBL8782808 0.83 HTR2C (0.47) HTR2CALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL8782814 0.83 HTR2C (0.47) HTR2CALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL8782802 0.83 HTR2C (0.47) HTR2CALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL8783843 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2ACHE
SCHEMBL8783839 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2ACHE
SCHEMBL14781348 0.68 ACHE (0.50) HTR2CALDH1A1ACHEHTR2AHTR2B
SCHEMBL318191 0.68 MTNR1A (0.42) HTR2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10109118 0.68 MTNR1A (0.42) HTR2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL17365878 0.67 ACHE (0.59) ALDH1A1LMNAMAPTSMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556119-B1 Pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR (FR) 1997-05-14 EP disclosed
US-5407946-A Pyrrolidine compounds which are useful as thromboxane AZ-inhibitors ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
US-5387591-A Possesses antithromboxane A2 properties; useful in treatment and prevention of thrombotic diseases ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0556119-A1 Novel pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR ET COMPAGNIE (FR) 1993-08-18 EP disclosed