SCHEMBL21381377

SCHEMBL21381377

COC(=O)CC1CCN(C(=O)c2ccnc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.57
▸ CCR3 P51677 2/20 0.54
▸ FAP Q12884 3/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SYK P43405 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ PDE2A O00408 1/20 0.44

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
SCHEMBL21034181 0.82 ADRB2 (0.49) FAPIDO1
SCHEMBL17729125 0.81 FAAH (0.54) FAPKMT2AL3MBTL1IDO1
SCHEMBL16002921 0.80 CHRM2 (0.52) CHRM2CCR3FAPUSP2DNMT1
SCHEMBL21384595 0.79 CHRM2 (0.54) CHRM2CCR3FAPKMT2AUSP2
SCHEMBL13826433 0.78 CHRM2 (0.57) CHRM2CCR3FAPSYKPDE2A
SCHEMBL31395273 0.77 KMT2A (0.60) CHRM2CCR3KMT2AUSP2DNMT1
SCHEMBL21400802 0.75 CCR3 (0.56) CHRM2CCR3IDO1
SCHEMBL8120811 0.74 CCR3 (0.59) CHRM2CCR3FAPKMT2A
SCHEMBL13889152 0.74 CCR3 (0.69) CHRM2CCR3
SCHEMBL23363547 0.73 ADRB2 (0.55) CHRM2CCR3KMT2APDE2A

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
CN-111630043-B Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2022-02-15 — — CN disclosed
CN-111630043-A Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2020-09-04 — — CN disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 — — WO disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 — — WO disclosed
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