SCHEMBL17825398

SCHEMBL17825398

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)NC(C)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.46
▸ KDM1A O60341 9/20 0.42
▸ MAOA P21397 7/20 0.42
▸ RCOR1 Q9UKL0 3/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MAOB P27338 2/20 0.42

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
SCHEMBL17968760 1.00 CAPN1 (0.46) CAPN1KDM1AMAOARCOR1KDM1B
SCHEMBL17968761 1.00 CAPN1 (0.46) CAPN1KDM1AMAOARCOR1KDM1B
SCHEMBL17825399 1.00 CAPN1 (0.46) CAPN1KDM1AMAOARCOR1KDM1B
SCHEMBL17968791 0.92 ITGB3 (0.49) KDM1AMAOARCOR1KDM1B
SCHEMBL17968792 0.92 ITGB3 (0.49) KDM1AMAOARCOR1KDM1B
SCHEMBL17825541 0.92 ITGB3 (0.49) KDM1AMAOARCOR1KDM1B
SCHEMBL19465509 0.92 CTSB (0.41) KDM1AMAOARCOR1KDM1BCTSL
SCHEMBL17968873 0.92 CTSB (0.41) KDM1AMAOARCOR1KDM1BCTSL
SCHEMBL17968874 0.92 CTSB (0.41) KDM1AMAOARCOR1KDM1BCTSL
SCHEMBL17834702 0.87 ITGB3 (0.42) KDM1AMAOACTSL

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-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 — — EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
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