SCHEMBL26619185

SCHEMBL26619185

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 16/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RAMP1 O60894 10/20 0.38
▸ CALCB P10092 1/20 0.38
▸ ADM2 Q7Z4H4 1/20 0.38
▸ 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
SCHEMBL30637920 1.00 CALCRL (0.38) CALCRLKCNH2RAMP1CALCBADM2
SCHEMBL30637915 0.92 KCNH2 (0.38) CALCRLKCNH2RAMP1CALCBADM2
SCHEMBL26619281 0.92 KCNH2 (0.38) CALCRLKCNH2RAMP1CALCBADM2
SCHEMBL31511795 0.89 CALCRL (0.38) CALCRLRAMP1CALCBADM2CALCA
SCHEMBL30637905 0.84 CALCRL (0.40) CALCRLRAMP1ADM2CALCA
SCHEMBL26619488 0.84 CALCRL (0.40) CALCRLRAMP1ADM2CALCA
SCHEMBL31511800 0.83 CALCRL (0.38) CALCRLRAMP1CALCBADM2CALCA
SCHEMBL30637971 0.81 ADM2 (0.45) CALCRLRAMP1CALCBADM2CALCA
SCHEMBL30637907 0.81 ADM2 (0.45) CALCRLRAMP1CALCBADM2CALCA
SCHEMBL30637926 0.81 ADM2 (0.45) CALCRLRAMP1CALCBADM2CALCA

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-117003762-A Piperidine formamide aza indane derivative, preparation method and application thereof 熙源安健医药(上海)有限公司 2023-11-07 — — CN disclosed
WO-2023208124-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 熙源安健医药(上海)有限公司 2023-11-02 — — WO disclosed
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