SCHEMBL7290102

SCHEMBL7290102

CCCCN1CCC(CCCC=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.49
CHRM1 P11229 4/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
DRD2 P14416 3/20 0.44
CHRM3 P20309 3/20 0.44
DRD4 P21917 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
DRD3 P35462 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL3947070 0.92 GNAO1 (0.43) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL7357369 0.87 GNAO1 (0.40) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3947872 0.84 SMN1; SMN2 (0.39) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL17424060 0.84 GNAO1 (0.59) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3947168 0.83 CHRM1 (0.42) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL7289625 0.82 TSHR (0.56) GNAO1DRD2DRD4HTR1ADRD3
SCHEMBL3956952 0.81 CHRM1 (0.38) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3956166 0.81 GNAO1 (0.41) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL28242366 0.81 GNAO1 (0.45) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3957675 0.81 ALDH1A1 (0.38) GNAO1CHRM1CHRM2CHRM4CHRM5

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 8 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
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed