SCHEMBL16796644

SCHEMBL16796644

Clc1ccccc1CCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
IDO1 P14902 2/20 0.43
SIGMAR1 Q99720 1/20 0.41
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 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
SCHEMBL30968312 0.80 TSHR (0.62) TSHRL3MBTL1TAAR1IDO1SIGMAR1
SCHEMBL4069939 0.79 TDP1 (0.64) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL11300409 0.77 KDM4E (0.56) TAAR1IDO1SIGMAR1KDM4EALDH1A1
SCHEMBL27698431 0.77 TAAR1 (0.46) TAAR1IDO1SIGMAR1
SCHEMBL8708922 0.77 HTR1A (0.65) TDP1L3MBTL1
SCHEMBL2640223 0.77 TSHR (0.70) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL8621469 0.77 TSHR (0.70) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL3438748 0.76 TDP1 (0.60) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL12040549 0.76 KDM4E (0.54) TAAR1SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL447523 0.76 HRH4 (0.44) HRH4HRH3TSHRTDP1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456599-B For treating or mitigating the sulphamate derivs compound of pain 比皮艾思药物研发有限公司 2019-05-14 CN disclosed
CN-106456599-A Sulfamate derivative compounds for use in treating or alleviating pain 比皮艾思药物研发有限公司 2017-02-22 CN disclosed
CN-104428292-B Phenylalkyl sulfamate compound and muscle relaxant composition comprising same 生物药品解决方案有限公司 2017-02-08 CN disclosed
EP-3079685-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
WO-2015088273-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-08-06 WO disclosed
WO-2015088273-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 WO disclosed
CN-104428292-A Phenylalkyl sulfamate compound and muscle relaxant composition comprising same BIO PHARM SOLUTIONS CO LTD 2015-03-18 CN disclosed