SCHEMBL6842740

SCHEMBL6842740

NC(=O)c1ccccc1CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SIGMAR1 Q99720 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HTR6 P50406 2/20 0.42
MPO P05164 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PARP1 P09874 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GRM2 Q14416 1/20 0.42
BRD4 O60885 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL27416833 0.86 LMNA (0.55) LMNASIGMAR1KDM4EALDH1A1HTT
SCHEMBL2774515 0.85 NPC1 (0.51) LMNAKDM4EALDH1A1HTTMPO
SCHEMBL16829428 0.85 SIGMAR1 (0.45) LMNASIGMAR1KDM4ERXFP1PARP1
SCHEMBL31222568 0.84 LMNA (0.54) LMNASIGMAR1KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL6141847 0.84 LMNA (0.58) LMNASIGMAR1KDM4EALDH1A1HTT
SCHEMBL2912053 0.84 NPC1 (0.54) KDM4EALDH1A1PARP1PARP2
SCHEMBL4878350 0.81 HDAC3 (0.55) LMNAKDM4EALDH1A1HTTHTR6
SCHEMBL2228234 0.81 KDM4E (0.58) LMNAKDM4EALDH1A1PARP1PARP2
SCHEMBL885730 0.81 CYP2A13 (0.55) LMNAKDM4EALDH1A1HTTMPO
SCHEMBL25145993 0.81 LMNA (0.54) LMNASIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013082756-A1 PHOSPHATE TRANSPORT INHIBITORS II LEO PHARMA A/S (DK) 2013-06-13 WO claimed
WO-2013082751-A1 PHOSPHATE TRANSPORT INHIBITORS I LEO PHARMA A/S (DK) 2013-06-13 WO claimed
CN-107982266-A Carbamate compounds and its preparation and application 阿比德治疗公司 2018-05-04 CN disclosed
CN-104159581-B Carbamate compounds and methods of making and using the same 阿比德治疗公司 2017-09-01 CN disclosed
US-6680318-B2 FOR THERAPY OF PAIN, GASTROINTESTINAL DISORDERS, SPINAL INJURIES ASTRAZENECA AB (SE) 2004-01-20 US disclosed