SCHEMBL24016934

SCHEMBL24016934

COc1ccc([C@H]2C(C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.46
▸ HCRTR2 O43614 4/20 0.46
▸ UBE2M P61081 1/20 0.45
▸ DCUN1D1 Q96GG9 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACSS2 Q9NR19 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ EP300 Q09472 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL25132815 1.00 HCRTR1 (0.46) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL18532595 1.00 HCRTR1 (0.46) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL14959024 1.00 HCRTR1 (0.46) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL12176376 0.92 NPSR1 (0.44) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL20879813 0.92 CYP2C9 (0.46) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL14959027 0.92 CYP2C9 (0.46) HCRTR1HCRTR2UBE2MDCUN1D1TSHR
SCHEMBL17805395 0.91 EPHX2 (0.41) UBE2MDCUN1D1TSHRCYP2C9NPSR1
SCHEMBL14959034 0.91 EPHX2 (0.41) UBE2MDCUN1D1TSHRCYP2C9NPSR1
SCHEMBL18790108 0.91 EPHX2 (0.41) UBE2MDCUN1D1TSHRCYP2C9NPSR1
SCHEMBL18609353 0.91 EPHX2 (0.41) UBE2MDCUN1D1TSHRCYP2C9NPSR1

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-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
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