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SCHEMBL12860259

SCHEMBL12860259

Bc1c(C=O)nn(C2CCCCC2)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.41
▸ CMKLR1 Q99788 4/20 0.40
▸ BTK Q06187 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ FDFT1 P37268 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GSTP1 P09211 1/20 0.38

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
SCHEMBL1132086 0.88 HRH3 (0.41) HRH3CMKLR1BTKCYP2D6FDFT1
SCHEMBL12860214 0.86 CMKLR1 (0.42) HRH3CMKLR1CYP2D6FDFT1ALOX5
SCHEMBL1132052 0.78 PTGS1 (0.41) HRH3CMKLR1BTKRAB9A
SCHEMBL12860095 0.78 CNR1 (0.46) CMKLR1BTKALOX5
SCHEMBL1131332 0.78 PTGS1 (0.41) HRH3CMKLR1BTKRAB9A
SCHEMBL1131969 0.78 CMKLR1 (0.41) HRH3CMKLR1BTKRAB9A
SCHEMBL1131971 0.78 CMKLR1 (0.41) HRH3CMKLR1BTKRAB9A
SCHEMBL1132018 0.77 FABP3 (0.46) HRH3CMKLR1BTKCYP2D6FDFT1
SCHEMBL1131853 0.77 BTK (0.42) HRH3CMKLR1BTKNPC1RAB9A
SCHEMBL1132025 0.76 PTPN1 (0.43) HRH3CMKLR1BTKNPC1RAB9A

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
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 — — EP disclosed