SCHEMBL29418501

SCHEMBL29418501

CC(C)(C)OC(=O)N1CC2(CCN(c3cnccc3Cl)C2)C1.CC(C)(C)OC(=O)N1CC2(CCN(c3cnccc3Cl)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.55
▸ EIF2AK4 Q9P2K8 2/20 0.46
▸ GPR119 Q8TDV5 6/20 0.46
▸ NAMPT P43490 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ RET P07949 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL25223238 1.00 CYP11B2 (0.55) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL30599714 1.00 CYP11B2 (0.55) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL30599709 0.95 CYP11B2 (0.59) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL25222484 0.95 CYP11B2 (0.59) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL25224809 0.91 GPR119 (0.51) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL29418351 0.91 GPR119 (0.51) CYP11B2EIF2AK4GPR119NAMPTCYP3A4
SCHEMBL25209734 0.84 GPR119 (0.54) GPR119CYP3A4POLB
SCHEMBL30599749 0.84 GPR119 (0.54) GPR119CYP3A4POLB
SCHEMBL25219083 0.83 CYP3A4 (0.43) CYP11B2CYP3A4CYP2D6CYP2C9CYP11B1
SCHEMBL38662223 0.82 CYP3A4 (0.62) CYP11B2CYP3A4CYP2D6CYP2C9HIF1A

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-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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