SCHEMBL14959092

SCHEMBL14959092

Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ UBE2M P61081 4/20 0.39
▸ DCUN1D1 Q96GG9 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ GIPR P48546 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL18790161 0.94 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL14960509 0.94 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL13327392 0.94 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL14959087 0.92 ACKR3 (0.40) RXFP1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL14959102 0.90 UBE2M (0.40) RXFP1UBE2MDCUN1D1ALDH1A1USP2
SCHEMBL14959097 0.90 MAPK14 (0.38) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL24016857 0.89 HSD17B10 (0.46) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL14959019 0.89 HSD17B10 (0.46) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL18609695 0.89 HSD17B10 (0.46) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL15088229 0.89 RXFP1 (0.38) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2

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
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — US disclosed
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