SCHEMBL11271245

SCHEMBL11271245

c1ccc2c(c1)OCC1CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 3/20 0.43
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS1 P29475 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL11268533 0.98 DRD2 (0.48) DRD2DRD3HTR2BESR1ESR2
SCHEMBL14514593 0.96 DRD2 (0.49) DRD2DRD3HTR2BESR1ESR2
SCHEMBL30849006 0.80 DRD2 (0.43) DRD2DRD3HTR2BESR1ESR2
SCHEMBL29960407 0.80 DRD2 (0.43) DRD2DRD3HTR2BLTB4RLTB4R2
Hydrochloric Acid SCHEMBL29960656 0.79 DRD2 (0.42) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL11276001 0.79 DRD2 (0.42) DRD2DRD3HTR2BESR2LTB4R
SCHEMBL8231800 0.79 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8232785 0.79 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8228508 0.79 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL13825739 0.79 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2

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-8895675-B2 Block copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-25 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
EP-0009386-B1 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1982-11-17 EP disclosed
EP-0003883-B1 AMINO-DIBENZOPYRANS, THEIR PREPARATION, FORMULATIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS ELI LILLY AND COMPANY (US) 1982-10-06 EP disclosed
US-4206225-A ANALGESICS PFIZER INC. (US) 1980-06-03 US disclosed
EP-0009386-A1 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof PFIZER INC. (US) 1980-04-02 EP disclosed