SCHEMBL7281702

SCHEMBL7281702

CCCCOC1CCC[CH]CCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
NAAA Q02083 2/20 0.34
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
LIPC P11150 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL4431588 0.89 GBA1 (0.41) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL7977377 0.88 GBA1 (0.41) GBA1SMN1; SMN2NAAAEPHX2TSHR
SCHEMBL2606649 0.87
SCHEMBL191351 0.87 NPC1 (0.45) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL8642669 0.85 GBA1 (0.45) GBA1NAAAEPHX2TSHR
SCHEMBL11940413 0.85 NPC1 (0.48) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL6378525 0.85 NPC1 (0.48) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL9128366 0.85 NPC1 (0.48) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL192534 0.85 NPC1 (0.48) GBA1SMN1; SMN2NPC1NAAAEPHX2
SCHEMBL27915053 0.85 NPC1 (0.48) GBA1SMN1; SMN2NPC1NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320006-A2 Uses of 1,4-dihydropyridines LABORATOIRES SYNTEX (FR) 1989-06-14 EP disclosed
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed