SCHEMBL6251810

SCHEMBL6251810

COc1ccc(C2CC2CC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.61
KDM1A O60341 6/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL10123338 0.83 HTR2C (0.45) HTR2CKDM1AMAOAMAOBALDH1A1
SCHEMBL6322679 0.81 CHRM2 (0.70) HTR2CKDM1AMAOAMAOBCHRM2
SCHEMBL6227345 0.80 HTR2C (0.61) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL6227343 0.80 HTR2C (0.61) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL6319899 0.80 PDE4A (0.47) KDM1ACHRM2CHRM1CHRM3TUBB4A
SCHEMBL23995535 0.79 HTR2C (0.69) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL16591278 0.79 HTR2C (0.69) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL2435013 0.79 HTR2C (0.59) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL2091037 0.78 HTR2C (0.62) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL2090322 0.78 HTR2C (0.62) HTR2CKDM1AMAOAMAOBDRD2

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-2005051904-A2 NOVEL PROCESSES FOR THE SYNTHESIS OF CYCLOPROPYL COMPOUNDS PHARMACIA CORPORATION (US) 2005-06-09 WO disclosed