SCHEMBL29549672

SCHEMBL29549672

O=C1Nc2ncccc2C12Cc1cccnc1C2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.48
CALCA P06881 3/20 0.47
RAMP1 O60894 11/20 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
SCHEMBL16658950 1.00 CALCRL (0.48) CALCRLCALCARAMP1
SCHEMBL10246001 0.89 CALCRL (0.51) CALCRLCALCARAMP1
SCHEMBL10207148 0.85 CALCA (0.46) CALCRLCALCARAMP1
SCHEMBL837966 0.85 CALCA (0.46) CALCRLCALCARAMP1
SCHEMBL31126001 0.83 CALCRL (0.50) CALCRLCALCARAMP1
SCHEMBL838209 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL22110811 0.83 CALCRL (0.51) CALCRLRAMP1
SCHEMBL31039442 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL976476 0.83 CALCRL (0.50) CALCRLCALCARAMP1

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
CN-114245798-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-08-27 CN disclosed
EP-3983416-A1 CGRP ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2022-04-20 EP disclosed