SCHEMBL7947070

SCHEMBL7947070

O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(CCC2(Cc3ccccc3)CCN(Cc3ccccc3)C2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.59
TACR1 P25103 2/20 0.59
TACR2 P21452 1/20 0.59

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
SCHEMBL7958659 0.95 HRH1 (0.57) HRH1TACR1TACR2
Fumaric Acid SCHEMBL7955888 0.93 HRH1 (0.55) HRH1TACR1TACR2
Maleic Acid SCHEMBL7955886 0.93 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7954960 0.90 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7955901 0.89 HRH1 (0.52) HRH1TACR1TACR2
SCHEMBL7956754 0.88 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7947166 0.88 HRH1 (0.65) HRH1TACR1TACR2
SCHEMBL7956255 0.87 HRH1 (0.55) HRH1TACR1TACR2
SCHEMBL7958555 0.86 HRH1 (0.63) HRH1TACR1TACR2
SCHEMBL9094558 0.86 HRH1 (0.44) HRH1TACR1TACR2

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed