SCHEMBL22756234

SCHEMBL22756234

CCOc1cnc(CC2CCN(C(C)=O)CC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.51
▸ MAPT P10636 1/20 0.42
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ TRPC6 Q9Y210 1/20 0.39
▸ ALK Q9UM73 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ TSHR P16473 1/20 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
SCHEMBL19329545 0.86 PRMT5 (0.54) PRMT5MAPTCDK1CDK4CCND1
SCHEMBL19329452 0.86 PRMT5 (0.56) PRMT5MAPTCDK1CDK4CCND1
SCHEMBL22968017 0.76 CYP4F2 (0.44) TRPC6CYP4F2CYP4A11
SCHEMBL19329622 0.74 PRMT5 (0.48) PRMT5LMNASMN1; SMN2ALDH1A1TLR7
SCHEMBL19346779 0.69 PLAT (0.43) PRMT5CDK4CCND1CDK2LMNA
SCHEMBL22968108 0.69 CYP4A11 (0.70) CYP4F2CYP4A11
SCHEMBL17300704 0.68 CNR2 (0.41) PRMT5
SCHEMBL1911868 0.68 MAPK14 (0.51) MAPTLMNASMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL19329370 0.68 PLAT (0.42) PRMT5CDK4CCND1CDK2LMNA
SCHEMBL6710666 0.68 CHRM4 (0.49) MAPTLMNAALDH1A1GLATRPC6

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-3426351-B1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-12-09 — — EP disclosed
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