SCHEMBL7479725

SCHEMBL7479725

CC1=C(C#N)C(c2cccc(N)c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MET P08581 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CACNA1B Q00975 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 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
SCHEMBL7273476 0.87 CACNA1F (0.53) POLBGAALMNAKDM4ESMN1; SMN2
SCHEMBL7483319 0.86 CACNA1B (0.50) CACNA1B
SCHEMBL7265857 0.86 CACNA1B (0.53) POLBGAALMNACACNA1BNR3C2
SCHEMBL7481235 0.85 NR1I2 (0.46) POLBGAALMNACACNA1BCACNA1F
SCHEMBL7265923 0.84 ALDH1A1 (0.58) POLBGAALMNAKDM4ESMN1; SMN2
SCHEMBL7266695 0.83 CACNA1F (0.49) POLBGAALMNAKDM4ESMN1; SMN2
SCHEMBL7265997 0.82 MAPT (0.58) POLBLMNAMAPK1ALDH1A1MAPT
SCHEMBL7275995 0.80 KDM4E (0.45) POLBGAALMNAKDM4EALDH1A1
SCHEMBL4436094 0.80 SMN1; SMN2 (0.49) POLBGAALMNAKDM4ESMN1; SMN2
SCHEMBL7267666 0.80 LMNA (0.49) POLBGAALMNAKDM4ESMN1; SMN2

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
EP-0747357-B1 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL MYERS SQUIBB CO (US) 2002-01-09 EP disclosed
US-5668151-A USEFUL AS ANOREXIGENIC AGENTS IN PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-16 US disclosed
US-5635503-A TREATMENT OF EATING DISORDERS, PROMOTING WEIGHT LOSS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-06-03 US disclosed
EP-0747357-A2 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0747378-A1 Dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0747356-A1 Dihydropyridine NPY antagonists: piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5554621-A Dihydropyridine NPY antagonists: nitrogen heterocyclic derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-09-10 US disclosed