SCHEMBL7439416

SCHEMBL7439416

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.57
ACHE P22303 4/20 0.52
DRD2 P14416 3/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 1/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
LMNA P02545 4/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM2 P08172 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CNR1 P21554 2/20 0.44

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 0.86 IGF1R (0.60) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL7446980 0.83 IGF1R (0.56) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL8612798 0.83 IGF1R (0.53) IGF1RDRD2HTR1AHTR7MEN1
SCHEMBL7267603 0.80 IGF1R (0.66) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL7754375 0.80 IGF1R (0.55) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL7267783 0.79 IGF1R (0.64) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL7276482 0.79 IGF1R (0.64) IGF1RACHEDRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL7548578 0.79 IGF1R (0.54) IGF1RACHEDRD2HTR1AHTR7
SCHEMBL14355260 0.78 IGF1R (0.60) IGF1RACHEDRD2MEN1KMT2A
Water SCHEMBL7275823 0.78 IGF1R (0.63) IGF1RACHEDRD2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164390-A Cardiac disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
US-5021574-A Cardiotonic agents, antiarrhythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-06-04 US disclosed
US-5001127-A 4-substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-03-19 US disclosed