SCHEMBL21675732

SCHEMBL21675732

CNCCC1CCC(CCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 1/20 0.33
CARM1 Q86X55 2/20 0.31
PRMT6 Q96LA8 2/20 0.31
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30

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
SCHEMBL919372 0.87
SCHEMBL17919936 0.87 SIGMAR1 (0.50) SIGMAR1MAPTCARM1PRMT6PRMT1
SCHEMBL26528390 0.86 SIGMAR1 (0.42) SIGMAR1MAPTCARM1PRMT6PRMT1
Hydrochloric Acid SCHEMBL14744246 0.85
SCHEMBL21675733 0.81 SIGMAR1 (0.38) SIGMAR1
SCHEMBL7982082 0.81 SIGMAR1 (0.42) SIGMAR1MAPTCARM1PRMT6PRMT1
SCHEMBL203650 0.79 SIGMAR1 (0.43) SIGMAR1
SCHEMBL11750040 0.79 SIGMAR1 (0.43) SIGMAR1
SCHEMBL25365 0.79
SCHEMBL21675740 0.78 SIGMAR1 (0.43) SIGMAR1MAPTCARM1PRMT6PRMT1

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
EP-3693022-A2 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2020-08-12 EP disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed