SCHEMBL7357477

SCHEMBL7357477

O=C(O)C1C=C(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL733324 0.72 SLC18A3 (0.38) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19746393 0.69 NPC1 (0.46) RAB9ANPC1LMNAAKR1C3AKR1C1
SCHEMBL10778292 0.68
SCHEMBL13264346 0.68 KDM1A (0.38) LMNAALDH1A1
SCHEMBL12490831 0.68 OAT (0.48) KMT2ALMNATSHRPOLB
SCHEMBL20600221 0.68 RAB9A (0.49) RAB9ANPC1SMN1; SMN2AKR1C3AKR1C1
Biphenyl SCHEMBL7611759 0.67 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Biphenyl SCHEMBL11881576 0.67 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11560802 0.65 MTNR1A (0.37) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C1
SCHEMBL7873912 0.65 F2 (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed