SCHEMBL10409256

SCHEMBL10409256

CCCCCCOCCCCCCCCCNc1ccc(Br)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
CNR2 P34972 1/20 0.41
ABL1 P00519 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL10408207 1.00 NPY1R (0.43) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL10408691 1.00 NPY1R (0.43) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL10409281 1.00 NPY1R (0.43) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL10408042 0.93 KDM4E (0.39) NPY1RNPY2RCNR2LMNACYP1A2
SCHEMBL10408217 0.91 NPY1R (0.49) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL10408280 0.91 NPY1R (0.49) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL5225813 0.91 NPY1R (0.49) NPY1RNPY2RCNR2ABL1LMNA
SCHEMBL10408270 0.90 ALDH1A1 (0.43) NPY1RNPY2RCNR2LMNACYP1A2
SCHEMBL10408211 0.84 CNR2 (0.40) CNR2ABL1LMNACYP1A2CYP2D6
SCHEMBL10409285 0.84 CNR2 (0.40) CNR2ABL1LMNACYP1A2CYP2D6

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