SCHEMBL27889142

SCHEMBL27889142

NC1CCN(OC(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CHRNA7 P36544 4/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TSHR P16473 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL27781385 0.88 KMT2A (0.46) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL18821943 0.85 KMT2A (0.46) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL19186103 0.83 RAB9A (0.47) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL27624527 0.83 ACHE (0.58) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL20306078 0.82 KMT2A (0.44) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL29111290 0.82 SLC18A3 (0.57) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL26317202 0.81 KMT2A (0.41) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL21726753 0.81 KMT2A (0.43) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL25629349 0.81 KMT2A (0.47) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL25630177 0.81 CHRNA7 (0.46) KMT2AMEN1CHRNA7CHRNB2CHRNA5

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-102712626-B Piperazine compounds having PGDS inhibitory effect TAIHO PHARMACEUTICAL CO LTD 2014-09-17 CN disclosed
CN-102712626-A Piperazine compounds having PGDS inhibitory effect TAIHO PHARMACEUTICAL CO LTD 2012-10-03 CN disclosed