SCHEMBL8304778

SCHEMBL8304778

Nc1ccccc1CCNC1CCN(C(=O)N[C@H](Cc2cc(Br)c(N)c(Br)c2)C(=O)N2CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 7/20 0.55
CYP3A4 P08684 4/20 0.55
CALCA P06881 13/20 0.50

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
SCHEMBL13326278 0.87 CALCRL (0.52) CALCRLCYP3A4CALCA
SCHEMBL13325959 0.87 CALCRL (0.52) CALCRLCYP3A4CALCA
SCHEMBL13325991 0.85 CALCRL (0.49) CALCRLCYP3A4CALCA
SCHEMBL3958197 0.82 CALCRL (0.57) CALCRLCYP3A4CALCA
SCHEMBL3962023 0.82 CALCRL (0.57) CALCRLCYP3A4CALCA
SCHEMBL3958044 0.82 CALCRL (0.59) CALCRLCYP3A4CALCA
SCHEMBL14044252 0.82 CALCRL (0.46) CALCRLCYP3A4CALCA
SCHEMBL13325201 0.81 CALCRL (0.46) CALCRLCYP3A4CALCA
SCHEMBL3958192 0.81 CALCRL (0.56) CALCRLCYP3A4CALCA
SCHEMBL3962386 0.81 CALCRL (0.61) CALCRLCYP3A4CALCA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005023250-A1 USE OF TELMISARTAN FOR THE PREVENTION OF VASCULAR HEADACHE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-17 WO disclosed