SCHEMBL10409285

SCHEMBL10409285

CCCCCCCCOCCCCCCCCCCNc1ccc(Br)cc1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 2/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGLL Q99685 1/20 0.36
HCAR3 P49019 1/20 0.36
BACE1 P56817 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL10408211 1.00 CNR2 (0.40) CNR2ALDH1A1ABL1LMNACYP1A2
SCHEMBL10407963 0.92 CNR2 (0.39) CNR2ALDH1A1ABL1LMNACYP1A2
SCHEMBL10408037 0.92 CNR2 (0.39) CNR2ALDH1A1ABL1LMNACYP1A2
SCHEMBL10409260 0.88 ALDH1A1 (0.40) CNR2ALDH1A1ABL1LMNACYP1A2
SCHEMBL10408039 0.86 KDM4E (0.40) CNR2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL10407902 0.86 CNR2 (0.44) CNR2ABL1LMNACYP1A2CYP2D6
SCHEMBL10408700 0.86 CNR2 (0.44) CNR2ABL1LMNACYP1A2CYP2D6
SCHEMBL10407968 0.84 CNR2 (0.45) CNR2ABL1LMNACYP1A2CYP2D6
SCHEMBL10408691 0.84 NPY1R (0.43) CNR2ALDH1A1ABL1LMNACYP1A2
SCHEMBL10408207 0.84 NPY1R (0.43) CNR2ALDH1A1ABL1LMNACYP1A2

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-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed