SCHEMBL7446980

SCHEMBL7446980

CONCC(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.56
ACHE P22303 4/20 0.51
DRD2 P14416 2/20 0.48
OPRM1 P35372 2/20 0.48
CACNA1B Q00975 2/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL7435733 0.85 IGF1R (0.60) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL7439416 0.83 IGF1R (0.57) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL14355260 0.83 IGF1R (0.60) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL8612635 0.81 CYP2D6 (0.50) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL7267603 0.79 IGF1R (0.66) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL7754375 0.79 IGF1R (0.55) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL7267783 0.78 IGF1R (0.64) IGF1RACHEDRD2OPRM1CACNA1B
SCHEMBL7276482 0.78 IGF1R (0.64) IGF1RACHEDRD2OPRM1CACNA1B
Hydrochloric Acid SCHEMBL7548578 0.78 IGF1R (0.54) IGF1RACHEDRD2OPRM1CACNA1B
Water SCHEMBL7275823 0.77 IGF1R (0.63) IGF1RACHEDRD2OPRM1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001127-A 4-substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-03-19 US disclosed