SCHEMBL7645267

SCHEMBL7645267

CCCCNc1nc(C)nc2c1c(C)cn2-c1ccc(C)cc1C

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.56
HPGD P15428 8/20 0.51
ALDH1A1 P00352 8/20 0.51
FPR3 P25089 2/20 0.43
TSPO P30536 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
CYP3A4 P08684 7/20 0.41
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 6/20 0.38
TSHR P16473 5/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7438108 0.77 CRHR1 (0.56) CRHR1ALDH1A1FPR3TSPOTMEM97
SCHEMBL5611328 0.76 CRHR1 (0.74) CRHR1FPR3TSPOTMEM97
SCHEMBL6850979 0.70 CRHR1 (0.50) CRHR1
SCHEMBL26781491 0.67 HPGD (1.00) HPGDALDH1A1TP53KDM4EHSD17B10
SCHEMBL8498539 0.67 CRHR1 (0.54) CRHR1HPGDALDH1A1FPR3TSPO
SCHEMBL9390674 0.67 CRHR1 (0.40) CRHR1ALDH1A1FPR3TSPOTMEM97
SCHEMBL8516517 0.67 CRHR1 (0.52) CRHR1ALDH1A1FPR3TSPOTMEM97
SCHEMBL7621313 0.65 CRHR1 (0.47) CRHR1HPGDALDH1A1FPR3TSPO
SCHEMBL27707912 0.64 HPGD (0.55) HPGDALDH1A1CYP3A4TP53KDM4E
SCHEMBL7902814 0.63 CRHR1 (0.68) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403599-B1 STROKE, HYPERTENSION, TACHYCARDIA, AND CONGESTIVE HEART FAILURE, OSTEOPOROSIS, PREMATURE BIRTH, PSYCHOSOCIAL DWARFISM, STRESS-INDUCED FEVER, ULCER, DIARRHEA, POST-OPERATIVE ILEUS, AND COLONIC HYPERSENSITIVITY, CARDIOVASCULAR DISORDERS PFIZER INC 2002-06-11 US disclosed