SCHEMBL30231990

SCHEMBL30231990

O=C(N[C@H](Cc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.75
CYP3A4 P08684 17/20 0.75

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
SCHEMBL3599139 1.00 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL3599128 1.00 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL13080917 0.90 CALCRL (0.90) CALCRLCYP3A4
SCHEMBL3598162 0.90 CALCRL (0.90) CALCRLCYP3A4
SCHEMBL30285362 0.90 CALCRL (0.90) CALCRLCYP3A4
SCHEMBL3596914 0.90 CALCRL (0.59) CALCRLCYP3A4
SCHEMBL3596923 0.90 CALCRL (0.59) CALCRLCYP3A4
SCHEMBL4593909 0.89 CALCRL (0.58) CALCRLCYP3A4
SCHEMBL3599807 0.88 CALCRL (0.58) CALCRLCYP3A4
SCHEMBL3599809 0.88 CALCRL (0.58) CALCRLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO disclosed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO disclosed
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO disclosed