Sugi Predict

Sugi Predict / Compounds / SCHEMBL8553436

SCHEMBL8553436

SCHEMBL8553436

CCOc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(C(=O)OC)cc3)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 15/20 0.51
▸ HRH1 P35367 6/20 0.51
▸ TACR1 P25103 1/20 0.51

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
SCHEMBL7472511 0.94 TACR2 (0.58) TACR2HRH1TACR1
SCHEMBL7473719 0.92 HRH1 (0.58) TACR2HRH1TACR1
SCHEMBL7478472 0.89 TACR2 (0.60) TACR2
SCHEMBL7469175 0.88 HRH1 (0.51) TACR2HRH1TACR1
SCHEMBL7468512 0.87 TACR2 (0.51) TACR2HRH1TACR1
SCHEMBL7472215 0.86 HRH1 (0.63) TACR2HRH1TACR1
SCHEMBL7471988 0.85 TACR2 (0.57) TACR2HRH1TACR1
SCHEMBL7475362 0.83 HRH1 (0.51) TACR2HRH1TACR1
SCHEMBL7470684 0.83 HRH1 (0.54) TACR2HRH1TACR1
SCHEMBL7464847 0.82 TACR2 (0.62) TACR2

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
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 — — EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 — — WO disclosed