SCHEMBL18551050

SCHEMBL18551050

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 10/20 0.47
▸ MTNR1B P49286 10/20 0.47
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ALOX5 P09917 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ ACHE P22303 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
SCHEMBL20233648 0.88 CHRM2 (0.51) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL20322409 0.88 CHRM2 (0.51) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL30230412 0.88 CHRM2 (0.51) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL30230087 0.88 CHRM2 (0.51) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL21341911 0.85 MTNR1A (0.46) MTNR1AMTNR1BACHE
SCHEMBL20443287 0.84 MTNR1A (0.44) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL12881236 0.82 ALOX5 (0.49) CHRM2CHRM1CHRM3ALOX5ACHE
SCHEMBL22047298 0.81 TAAR1 (0.49) MTNR1AMTNR1BALOX5CYP2D6ACHE
SCHEMBL5245979 0.79 ALOX5 (0.47) MTNR1AMTNR1BALOX5CYP2D6ACHE
SCHEMBL14463255 0.77 ALOX5 (0.45) CHRM2CHRM1CHRM3ALOX5ACHE

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-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 — — WO disclosed
Send feedback