SCHEMBL22704116

SCHEMBL22704116

CNC[C@@H](C)Oc1cccc(CCC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ ACHE P22303 2/20 0.42
▸ MTNR1A P48039 10/20 0.41
▸ MTNR1B P49286 10/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAAR1 Q96RJ0 3/20 0.36

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
SCHEMBL20234206 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL18591751 0.88 MTNR1A (0.40) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL18591813 0.88 MTNR1A (0.40) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL30230087 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL30230412 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL20322409 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL20233648 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3ACHEMTNR1A
SCHEMBL21025847 0.77 MTNR1A (0.44) ACHEMTNR1AMTNR1BKDM4ENSD2
SCHEMBL20325681 0.77 MTNR1A (0.44) ACHEMTNR1AMTNR1BKDM4ENSD2
SCHEMBL22873373 0.76 MTNR1A (0.38) CHRM2CHRM1CHRM3ACHEMTNR1A

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-2020233512-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE 成都海创药业有限公司 (CN) 2020-11-26 — — WO disclosed
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