SCHEMBL23304573

SCHEMBL23304573

C[C](C)CC1NCCc2cc(C(N)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.44
OPRK1 P41145 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 3/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL20504355 0.80 MAPKAPK2 (0.44) AKR1C3
SCHEMBL26101504 0.77 NNMT (0.44) AKR1C3
SCHEMBL20504221 0.77 PRCP (0.53) F2PLGPLAUKLKB1PRSS1
SCHEMBL8466120 0.73 KMT2A (0.47) OPRM1OPRK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4875139 0.71 MEN1 (0.37) AKR1C3
SCHEMBL30260154 0.70 CA1 (0.47) OPRM1OPRK1
SCHEMBL14591478 0.69 SMN1; SMN2 (0.64) OPRM1OPRK1SMN1; SMN2OPRD1ALDH1A1
SCHEMBL1013087 0.69 MAOA (0.53) ALDH1A1
SCHEMBL3431402 0.69 SMN1; SMN2 (0.64) OPRM1OPRK1SMN1; SMN2OPRD1ALDH1A1
SCHEMBL15071424 0.69 ALDH1A1 (0.52) OPRM1OPRK1SMN1; SMN2OPRD1ADRB2

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-2021086879-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2021-05-06 WO disclosed