SCHEMBL24031267

SCHEMBL24031267

CC(C)c1ccc(C(=O)N[C@H]2CC[C@H](N(C)c3ccc(C#N)c(Cl)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.71
▸ S1PR3 Q99500 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PGR P06401 7/20 0.39
▸ FASN P49327 1/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ S1PR2 O95136 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
SCHEMBL24031705 0.91 AR (0.60) ARS1PR3NPC1RAB9APGR
SCHEMBL26801765 0.90 AR (0.74) ARS1PR3NPC1RAB9APGR
SCHEMBL24031703 0.89 AR (0.58) ARS1PR3NPC1RAB9APGR
SCHEMBL27295127 0.89 AR (0.73) ARNPC1RAB9APGRCYP2C9
SCHEMBL27027440 0.88 AR (0.57) ARS1PR3PGRCYP2C9CYP2D6
SCHEMBL24031270 0.88 AR (0.56) ARPGRCYP2C9CYP2D6KCNH2
SCHEMBL24031259 0.87 AR (0.63) ARS1PR3S1PR1S1PR2
SCHEMBL24031263 0.87 AR (0.62) ARS1PR3PGRCYP2C9CYP2D6
SCHEMBL27027448 0.87 AR (0.58) ARS1PR3PGRCYP2C9CYP2D6
SCHEMBL25898102 0.85 AR (0.67) ARS1PR3PGRCYP2C9CYP2D6

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
WO-2021231927-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-18 — — WO disclosed
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