SCHEMBL31511800

SCHEMBL31511800

NC(=O)c1nc2c(s1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 17/20 0.38
▸ CALCA P06881 2/20 0.38
▸ CALCB P10092 1/20 0.38
▸ ADM2 Q7Z4H4 1/20 0.38
▸ RAMP1 O60894 8/20 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
SCHEMBL31511804 0.90 CALCA (0.36) CALCRLCALCACALCBADM2RAMP1
SCHEMBL26619488 0.90 CALCRL (0.40) CALCRLCALCAADM2RAMP1
SCHEMBL30637905 0.90 CALCRL (0.40) CALCRLCALCAADM2RAMP1
SCHEMBL31511795 0.86 CALCRL (0.38) CALCRLCALCACALCBADM2RAMP1
SCHEMBL26619185 0.83 CALCRL (0.38) CALCRLCALCACALCBADM2RAMP1
SCHEMBL30637920 0.83 CALCRL (0.38) CALCRLCALCACALCBADM2RAMP1
SCHEMBL30637910 0.81 CALCRL (0.39) CALCRLCALCACALCBADM2RAMP1
SCHEMBL26619068 0.81 CALCRL (0.39) CALCRLCALCACALCBADM2RAMP1
SCHEMBL30637928 0.79 CALCA (0.33) CALCA
SCHEMBL30683660 0.78 ADM2 (0.45) CALCRLCALCACALCBADM2RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4516793-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF Brise Pharmaceuticals Co., Ltd. (CN) 2025-03-05 — — EP disclosed
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