SCHEMBL27909443

SCHEMBL27909443

O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1nccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.60
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 2/20 0.57
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
KDR P35968 1/20 0.54
MEN1 O00255 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL27909366 0.81 ALDH1A1 (0.56) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL27909367 0.79 SLC27A1 (0.61) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL28804425 0.78 MAPT (0.64) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL15134850 0.77 KCNA5 (0.69) KCNA5SMN1; SMN2KMT2ALMNA
SCHEMBL27909461 0.77 HTT (0.64) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL10282572 0.76 KCNA5 (0.64) KCNA5SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL27927214 0.76 LMNA (0.52) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL27909447 0.76 ALDH1A1 (0.72) HTTALDH1A1MAPTL3MBTL1TSHR
SCHEMBL3394398 0.76 KCNA5 (0.65) KCNA5ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL10245284 0.76 KCNA5 (0.62) KCNA5SMN1; SMN2KMT2ALMNA

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