SCHEMBL8206448

SCHEMBL8206448

Cc1cccc(CCCNC2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
OPRM1 P35372 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRD1 P41143 1/20 0.40
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PPARG P37231 2/20 0.35
ACKR3 P25106 1/20 0.34
GRIN2B Q13224 4/20 0.33
KCNH2 Q12809 4/20 0.33
SCN5A Q14524 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL8197966 0.97 CHRM3 (0.40) CHRM2CHRM1CHRM3OPRM1MEN1
SCHEMBL8206408 0.94 CHRM2 (0.42) CHRM2CHRM1CHRM3OPRM1MEN1
SCHEMBL8208907 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3ACKR3GRIN2B
SCHEMBL8209774 0.84 CHRM3 (0.40) CHRM2CHRM1CHRM3OPRM1MEN1
SCHEMBL8209778 0.84 CHRM3 (0.40) CHRM2CHRM1CHRM3OPRM1MEN1
SCHEMBL8197961 0.83 OPRM1 (0.38) CHRM2CHRM1CHRM3OPRM1MEN1
SCHEMBL8199243 0.82 GRIN2B (0.46) OPRM1GRIN2BGRIN1
SCHEMBL8209728 0.82 HRH1 (0.42) CHRM2CHRM3OPRM1GRIN2BKCNH2
SCHEMBL8211310 0.80 OPRM1 (0.39) CHRM2CHRM1CHRM3OPRM1GRIN2B
SCHEMBL8206446 0.80 OPRM1 (0.38) CHRM2CHRM1CHRM3OPRM1MEN1

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed