SCHEMBL22047298

SCHEMBL22047298

CCCc1cccc(O[C@H](C)CN)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ ACHE P22303 3/20 0.45
▸ ALOX5 P09917 1/20 0.43
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL12881236 0.84 ALOX5 (0.49) TAAR1ACHEALOX5PPARGPPARA
SCHEMBL14979585 0.82 TAAR1 (0.42) TAAR1ACHEAOC3MTNR1AMTNR1B
SCHEMBL28121082 0.82 TAAR1 (0.60) TAAR1ACHE
SCHEMBL28121086 0.82 TAAR1 (0.60) TAAR1ACHE
SCHEMBL27987194 0.82 TAAR1 (0.60) TAAR1ACHE
SCHEMBL5245979 0.81 ALOX5 (0.47) TAAR1ACHEALOX5PPARGPPARA
SCHEMBL20233648 0.81 CHRM2 (0.51) ACHEALOX5MTNR1AMTNR1BCYP2D6
SCHEMBL30230412 0.81 CHRM2 (0.51) ACHEALOX5MTNR1AMTNR1BCYP2D6
SCHEMBL30230087 0.81 CHRM2 (0.51) ACHEALOX5MTNR1AMTNR1BCYP2D6
SCHEMBL11167304 0.81 NOS1 (0.43) TAAR1MTNR1AMTNR1B

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
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 — — EP disclosed
Send feedback