SCHEMBL7249859

SCHEMBL7249859

CN1CCC(CN)(CNC(=O)Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 7/20 0.52
NPFFR2 Q9Y5X5 7/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
OPRK1 P41145 1/20 0.45
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL7248229 0.86 NPFFR1 (0.60) NPFFR1NPFFR2OPRK1
SCHEMBL7248648 0.83 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7249447 0.82 ALDH1A1 (0.44) NPFFR1NPFFR2L3MBTL1ALDH1A1NPC1
SCHEMBL7250646 0.82 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7249605 0.82 POLB (0.45) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7249154 0.80 CA1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28743311 0.76 ALDH1A1 (0.40) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7251032 0.74 NPFFR1 (0.56) NPFFR1NPFFR2ALDH1A1OPRK1
SCHEMBL7250456 0.74 NPSR1 (0.37) NPFFR1NPFFR2ALDH1A1LMNA
SCHEMBL14902516 0.74 KMT2A (0.48) NPFFR1NPFFR2KMT2AMEN1LMNA

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
EP-1045834-A1 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-10-25 EP claimed
WO-1999031057-A1 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 WO claimed
US-6545022-B1 Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders PFIZER INC. 2003-04-08 US disclosed
EP-1045834-A1 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-10-25 EP disclosed
WO-1999031057-A1 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 WO disclosed