SCHEMBL7251985

SCHEMBL7251985

FC(F)(F)c1[c]cccc1C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.61
HTR1A P08908 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADRB2 P07550 1/20 0.37

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
SCHEMBL16467730 0.88 HTR2C (0.43) HTR2C
SCHEMBL613612 0.76 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30228461 0.76 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30853595 0.75 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL307161 0.75 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2465607 0.72 HTR1A (0.49) HTR1A
SCHEMBL7839191 0.71 HTR2C (0.45) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30493303 0.70 HTR2C (0.72) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27833490 0.70 HTR2C (0.62) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2783823 0.69 HTR2C (0.73) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US disclosed