SCHEMBL26845645

SCHEMBL26845645

CC(C)c1cnc(N2CCC(O)(C(C)C)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ PIK3CA P42336 3/20 0.39
▸ MTOR P42345 3/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ OGA O60502 8/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACACB O00763 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CETP P11597 1/20 0.32

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
SCHEMBL26846118 0.85 OGA (0.39) PANK3OGAMEN1KMT2AACACB
SCHEMBL14147067 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1PIK3CA
SCHEMBL26844919 0.79 ACACB (0.36) PANK3OGAMEN1KMT2AACACB
SCHEMBL13466910 0.77 PANK3 (0.40) PANK3OGAACACBTSHR
SCHEMBL19105574 0.77 PANK3 (0.40) PANK3OGAACACB
SCHEMBL16131123 0.75 POLB (0.42) PANK3OGAMEN1KMT2AACACB
SCHEMBL24827889 0.75 CYP3A4 (0.36) PANK3OGAMEN1KMT2AACACB
SCHEMBL11402241 0.74 HRH4 (0.47) PANK3OGAKMT2ATSHR
SCHEMBL26815219 0.74 CYP3A4 (0.36) PANK3OGAMEN1KMT2AACACB
SCHEMBL356906 0.73 GPR119 (0.43) OPRM1OPRL1PANK3OGACETP

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-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
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