SCHEMBL29153323

SCHEMBL29153323

O=C(O)c1cc2c(s1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 14/20 0.46
▸ ADM2 Q7Z4H4 4/20 0.45
▸ RAMP1 O60894 7/20 0.45
▸ CALCB P10092 3/20 0.43
▸ CALCA P06881 2/20 0.43

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
SCHEMBL30637916 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL26619196 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637927 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL29153342 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637909 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637930 1.00 CALCRL (0.46) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30683660 0.90 ADM2 (0.45) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637926 0.85 ADM2 (0.45) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637907 0.85 ADM2 (0.45) CALCRLADM2RAMP1CALCBCALCA
SCHEMBL30637913 0.85 ADM2 (0.45) CALCRLADM2RAMP1CALCBCALCA

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
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
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