SCHEMBL9720795

SCHEMBL9720795

Oc1ccc(CN2CCN(CCCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
SIGMAR1 Q99720 1/20 0.54
DRD4 P21917 1/20 0.52
CCR3 P51677 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CCR1 P32246 1/20 0.50

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
SCHEMBL9720769 0.82 KDM4E (0.62) SIGMAR1DRD4L3MBTL1
SCHEMBL10503271 0.81 ALDH1A1 (0.56) SIGMAR1DRD4CCR3L3MBTL1
SCHEMBL9720774 0.81 SIGMAR1 (0.60) CCR2SIGMAR1
SCHEMBL11848227 0.80 CCR2 (0.73) CCR2SIGMAR1DRD4CCR3
SCHEMBL9720752 0.79 DRD4 (0.77) SIGMAR1DRD4
Hydrochloric Acid SCHEMBL11838606 0.79 CCR2 (0.71) CCR2SIGMAR1DRD4CCR3
Belarizine SCHEMBL2108057 0.78 ATM (0.73) DRD4L3MBTL1
SCHEMBL6770892 0.76 CCR2 (0.87) CCR2
SCHEMBL6770148 0.76 CCR2 (0.81) CCR2SIGMAR1CCR3
SCHEMBL5428090 0.76 DRD4 (0.63) SIGMAR1DRD4

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed