SCHEMBL7247682

SCHEMBL7247682

NCC1(C(Cc2ccccc2)c2nsc(=O)[nH]2)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
MME P08473 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7253207 0.80 BACE1 (0.38) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL7252967 0.75
SCHEMBL7250634 0.75 MEN1 (0.33) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL7251038 0.69 CTRB1 (0.44) ALDH1A1MME
SCHEMBL7248698 0.69 KMT2A (0.35) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL7248233 0.68 PSMB8 (0.45) MEN1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7249473 0.67 ANPEP (0.45) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL4746204 0.63 USP2 (0.44) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL7248348 0.60
SCHEMBL7249863 0.60 POLB (0.46) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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