SCHEMBL9275274

SCHEMBL9275274

CC(C)C(CN1C[C@@H](O)[C@H](O)C1)N(C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TSHR P16473 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
SCHEMBL9275269 1.00 P2RX7 (0.39) P2RX7USP2ALOX15MCHR1HRH3
SCHEMBL9106664 1.00 P2RX7 (0.39) P2RX7USP2ALOX15MCHR1HRH3
SCHEMBL9106671 1.00 P2RX7 (0.39) P2RX7USP2ALOX15MCHR1HRH3
SCHEMBL9105365 0.93 HRH3 (0.41) P2RX7USP2ALOX15MCHR1HRH3
SCHEMBL9105358 0.93 HRH3 (0.41) P2RX7USP2ALOX15MCHR1HRH3
SCHEMBL9102666 0.89 P2RX7 (0.38) P2RX7USP2ALOX15MCHR1TSHR
SCHEMBL9102655 0.89 P2RX7 (0.38) P2RX7USP2ALOX15MCHR1TSHR
SCHEMBL9102643 0.86 HRH3 (0.50) HRH3
SCHEMBL9101608 0.86 HRH3 (0.50) HRH3
SCHEMBL9101596 0.86 HRH3 (0.50) HRH3

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-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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