SCHEMBL27287331

SCHEMBL27287331

CC(C)NC[C@H](CO)CC#N

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL27287330 1.00 CYP1A2 (0.31) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL27287332 1.00 CYP1A2 (0.31) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL27281033 0.78
SCHEMBL27280591 0.74 ADRB2 (0.41) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL27287329 0.74 ADRB2 (0.41) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL27280933 0.74 ADRB2 (0.41) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL9175469 0.74
SCHEMBL11406750 0.74
SCHEMBL27280589 0.73 TSHR (0.32) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL27280587 0.73 TSHR (0.32) CYP1A2CYP3A4TSHRMAPK1ADRB2

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-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed