SCHEMBL7249473

SCHEMBL7249473

NCC1(C(Cc2ccccc2)P(=O)(O)O)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.45
LAP3 P28838 5/20 0.45
ACP3 P15309 3/20 0.41
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 2/20 0.37
MME P08473 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL7251038 0.73 CTRB1 (0.44) MMEALDH1A1
SCHEMBL7248233 0.72 PSMB8 (0.45) MEN1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7248698 0.70 KMT2A (0.35) MMESLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL7255456 0.68 ANPEP (0.32) ANPEPLAP3ERAP1ERAP2KMT2A
SCHEMBL4746204 0.68 USP2 (0.44) SLC6A2SLC6A4MEN1ALDH1A1CYP2C9
SCHEMBL7249863 0.68 POLB (0.46) MEN1ALDH1A1KMT2A
SCHEMBL7247682 0.67 MEN1 (0.33) MMESLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL8570543 0.66 EPHX1 (0.42) ANPEPLAP3MMESLC6A2SLC6A4
SCHEMBL4522844 0.64 OPRM1 (0.44) ANPEPMMESLC6A2SLC6A4MEN1
SCHEMBL2375608 0.64 LAP3 (1.00) ANPEPLAP3ACP3ERAP1ERAP2

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