SCHEMBL8208907

SCHEMBL8208907

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCc2ccccn2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HRH2 P25021 1/20 0.35
ACKR3 P25106 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8206100 0.94 HSD11B1 (0.42) CHRM2CHRM3CHRM1SMN1; SMN2HSD11B1
SCHEMBL8206448 0.85 CHRM2 (0.41) CHRM2CHRM3CHRM1SMN1; SMN2CYP2C19
SCHEMBL8199243 0.85 GRIN2B (0.46) GRIN1GRIN2B
SCHEMBL8197966 0.82 CHRM3 (0.40) CHRM2CHRM3CHRM1SMN1; SMN2CYP2C19
SCHEMBL8199188 0.81 GRIN2B (0.40) CHRM2CHRM3CHRM1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL8209834 0.81 GRIN2B (0.46) GRIN1GRIN2B
SCHEMBL8209728 0.80 HRH1 (0.42) CHRM2CHRM3CYP1A2CYP2C19GRIN1
SCHEMBL8199090 0.80 GRIN2B (0.43) CHRM2CHRM3GRIN1GRIN2BALDH1A1
SCHEMBL8207085 0.80 POLB (0.36) CHRM2CHRM3CHRM1CYP2C19HSD11B1
SCHEMBL8199053 0.80 TAAR1 (0.50) CHRM2CHRM3CHRM1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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