SCHEMBL7954871

SCHEMBL7954871

O=C(c1nc2ccccc2n1CCOCc1ccco1)C1CCN(CCC2(Cc3ccccc3)CCCN(Cc3ccccc3)C2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.57
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL7947509 0.97 HRH1 (0.58) HRH1TACR2TACR1
SCHEMBL7956124 0.96 HRH1 (0.54) HRH1TACR2TACR1
SCHEMBL7956349 0.95 HRH1 (0.57) HRH1TACR2TACR1
SCHEMBL7947291 0.91 HRH1 (0.55) HRH1TACR2TACR1
SCHEMBL7958371 0.89 HRH1 (0.65) HRH1
SCHEMBL7954709 0.89 HRH1 (0.61) HRH1TACR2TACR1
SCHEMBL7956255 0.88 HRH1 (0.55) HRH1TACR2TACR1
SCHEMBL7955901 0.88 HRH1 (0.52) HRH1TACR2TACR1
SCHEMBL7958683 0.87 HRH1 (0.56) HRH1TACR2TACR1
SCHEMBL8811758 0.86 HRH1 (0.56) HRH1TACR2TACR1

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