SCHEMBL7355885

SCHEMBL7355885

[O]CCCCNCCCC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
EPHX1 P07099 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
DRD4 P21917 1/20 0.34
HTT P42858 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
ANPEP P15144 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 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
SCHEMBL7290052 0.95 EPHX1 (0.41) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL7351738 0.88 DRD4 (0.39) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL4090573 0.84 EPHX1 (0.42) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL7355891 0.83 HPGD (0.36) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL4507233 0.80 EPHX1 (0.47) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL7290055 0.79 EPHX1 (0.41) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL4489410 0.78 EPHX1 (0.50) HPGDSMN1; SMN2USP2EPHX1TP53
SCHEMBL3523999 0.78
SCHEMBL2836847 0.76
SCHEMBL15822139 0.75 EPHX1 (0.48) HPGDSMN1; SMN2USP2EPHX1TP53

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-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed