SCHEMBL7956754

SCHEMBL7956754

O=C(c1nc2ccccc2n1Cc1ccccn1)C1CCN(CCC2(Cc3ccccc3)CCN(Cc3ccccc3)C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.55
TACR2 P21452 1/20 0.45
TACR1 P25103 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
SCHEMBL7956895 0.96 HRH1 (0.54) HRH1TACR2TACR1
SCHEMBL7954960 0.92 HRH1 (0.55) HRH1TACR2TACR1
SCHEMBL7955942 0.91 HRH1 (0.64) HRH1TACR1
SCHEMBL7961294 0.91 HRH1 (0.58) HRH1TACR2TACR1
SCHEMBL7947070 0.88 HRH1 (0.59) HRH1TACR2TACR1
SCHEMBL7947454 0.86 HRH1 (0.65) HRH1TACR2TACR1
SCHEMBL7956255 0.86 HRH1 (0.55) HRH1TACR2TACR1
SCHEMBL7961317 0.86 HRH1 (0.65) HRH1TACR2TACR1
SCHEMBL7958392 0.86 HRH1 (0.61) HRH1TACR1
SCHEMBL7954754 0.85 HRH1 (0.65) HRH1

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