SCHEMBL4071585

SCHEMBL4071585

O=C(O)N1CCC(N2Cc3sccc3NC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.40
CHRM4 P08173 1/20 0.38
RAMP1 O60894 5/20 0.38

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
SCHEMBL4071587 0.84 CALCRL (0.35) CALCRLCHRM4RAMP1
SCHEMBL3954165 0.82 TP53 (0.46) CALCRLRAMP1
SCHEMBL13801335 0.80 HPGD (0.36) CALCRL
SCHEMBL3278588 0.79 HPGD (0.36)
SCHEMBL14141234 0.79 MAPK1 (0.39) CALCRL
SCHEMBL14410191 0.79 PARP1 (0.40) CALCRLRAMP1
Trifluoroacetic Acid SCHEMBL3960183 0.78 PARP1 (0.35) CALCRLCHRM4
SCHEMBL2103739 0.77 CALCRL (0.58) CALCRLCHRM4RAMP1
SCHEMBL30231301 0.77 CALCRL (0.58) CALCRLCHRM4RAMP1
SCHEMBL4072288 0.76 CALCRL (0.42) CALCRLCHRM4RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed