SCHEMBL30285366

SCHEMBL30285366

O=C(N[C@H](Cc1cc(Cl)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 1.00
CYP3A4 P08684 17/20 1.00

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
SCHEMBL13081148 1.00 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3598830 1.00 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3761746 0.97 CALCRL (0.93) CALCRLCYP3A4
SCHEMBL13080939 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL30285255 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL30285515 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3759193 0.92 CALCRL (0.85) CALCRLCYP3A4
SCHEMBL13080942 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3602129 0.92 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3591400 0.92 CALCRL (1.00) 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 4 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-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