SCHEMBL27909367

SCHEMBL27909367

O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.61
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 2/20 0.54
ADORA2A P29274 1/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR55 Q9Y2T6 1/20 0.52
CLK1 P49759 1/20 0.51

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
SCHEMBL27909451 0.88 SLC27A1 (0.58) SLC27A1ALDH1A1MEN1KMT2AHTT
SCHEMBL27927214 0.86 LMNA (0.52) SLC27A1ALDH1A1MEN1KMT2AHTT
SCHEMBL27927122 0.86 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6864740 0.79 SLC27A1 (0.67) SLC27A1SMN1; SMN2L3MBTL1NFKB1CSNK1D
SCHEMBL7522067 0.79 SLC27A1 (0.84) SLC27A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27909366 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL5327560 0.79 SLC27A1 (0.66) SLC27A1ALDH1A1MEN1KMT2AHTT
SCHEMBL27909443 0.79 KCNA5 (0.60) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL28804425 0.78 MAPT (0.64) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3396188 0.78 SLC27A1 (0.64) SLC27A1ALDH1A1MEN1KMT2ASMN1; SMN2

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-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN claimed
CN-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN disclosed