SCHEMBL30973608

SCHEMBL30973608

O=C(O)c1cnc2c(c1)C[C@]1(CNc3ncccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.41
▸ RAMP1 O60894 6/20 0.37
▸ CALCA P06881 2/20 0.37

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
SCHEMBL29517935 1.00 CALCRL (0.41) CALCRLRAMP1CALCA
SCHEMBL30973610 1.00 CALCRL (0.41) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL29517767 0.99 CALCRL (0.40) CALCRLRAMP1CALCA
Water SCHEMBL29517893 0.99 CALCRL (0.40) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL31126009 0.99 CALCRL (0.40) CALCRLRAMP1CALCA
SCHEMBL29997207 0.85 CALCA (0.41) CALCRLRAMP1CALCA
SCHEMBL28708108 0.85 CALCA (0.41) CALCRLRAMP1CALCA
SCHEMBL3694253 0.78 CALCRL (0.61) CALCRLRAMP1
SCHEMBL31084957 0.78 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29559656 0.78 CALCRL (0.61) CALCRLRAMP1

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
WO-2024134683-A1 Novel process for the preparation of intermediate compounds used in the treatment of migraine MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-06-27 — — WO claimed
WO-2024134683-A1 Novel process for the preparation of intermediate compounds used in the treatment of migraine MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-06-27 — — WO disclosed
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