SCHEMBL7468360

SCHEMBL7468360

O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.63
TACR1 P25103 2/20 0.63
TACR2 P21452 1/20 0.63
TP53 P04637 1/20 0.48
CYP2D6 P10635 6/20 0.45
KCNH2 Q12809 4/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL9259200 0.87 HRH1 (0.63) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9264751 0.84 HRH1 (0.72) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL7958395 0.83 HRH1 (0.64) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9196229 0.83 HRH1 (0.66) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9259609 0.82 HRH1 (0.67) HRH1TACR1TACR2TP53CYP2D6
Trifluoroacetic Acid SCHEMBL7468353 0.82 HRH1 (0.57) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9261674 0.82 HRH1 (0.67) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9259670 0.82 HRH1 (0.69) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9258366 0.81 HRH1 (0.63) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9266568 0.81 HRH1 (0.66) HRH1TACR1TACR2TP53CYP2D6

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
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
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