SCHEMBL27486296

SCHEMBL27486296

COc1ccc(C[C@@H]2CN(Cc3ccccc3)CC(C(=O)C=O)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
FAAH O00519 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 1/20 0.43
S1PR5 Q9H228 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27511718 1.00 SIGMAR1 (0.47) SIGMAR1FAAHSMN1; SMN2HRH2S1PR5
SCHEMBL27493008 0.86 MLNR (0.43) SIGMAR1FAAHS1PR5
SCHEMBL27524925 0.83 HIF1A (0.47) SIGMAR1FAAHS1PR5
SCHEMBL28141724 0.80 S1PR5 (0.41) SIGMAR1S1PR5
SCHEMBL28023906 0.78 MMP1 (0.46) SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL27532268 0.77 SIGMAR1 (0.45) SIGMAR1FAAHS1PR5ALDH1A1
SCHEMBL23540940 0.76 SIGMAR1 (0.49) SIGMAR1FAAHS1PR5
SCHEMBL28046102 0.76 KDM4E (0.47) SIGMAR1SMN1; SMN2
SCHEMBL12520647 0.73 LTA4H (0.63) SIGMAR1SMN1; SMN2HRH2
SCHEMBL4287551 0.73 LTA4H (0.63) SIGMAR1SMN1; SMN2HRH2

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
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 CN disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 CN disclosed