SCHEMBL7348990

SCHEMBL7348990

CCOc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 3/20 0.48
DRD4 P21917 1/20 0.47
DRD2 P14416 1/20 0.47
NPY1R P25929 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9579498 0.85 TSHR (0.54) MAPTNPC1DRD2ALDH1A1TSHR
SCHEMBL9506055 0.85 MEN1 (0.58) TP53CYP3A4MAPTMEN1KMT2A
SCHEMBL9501994 0.84 TSHR (0.56) DRD2TSHRKCNH2
SCHEMBL12251455 0.83 ALDH1A1 (0.57) TP53CYP3A4MAPTMEN1KMT2A
SCHEMBL12251546 0.82 ADRA2C (0.57) TP53CYP3A4MAPTMEN1KMT2A
SCHEMBL4143515 0.81 MAPT (0.56) TP53MAPTMEN1KMT2ANOTUM
SCHEMBL1365556 0.81 ADRB1 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6922833 0.81 ADRB1 (0.69) TP53CYP3A4MAPTMEN1KMT2A
SCHEMBL12129236 0.81 KDM4E (0.59) TP53CYP3A4MAPTMEN1KMT2A
SCHEMBL4671542 0.80 ALOX5 (0.54) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
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
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO disclosed
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
US-4822780-A CALCIUM ANTAGONIST, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-04-18 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed