SCHEMBL27687351

SCHEMBL27687351

Fc1cc(-c2ccccc2)cc(N2CCNCC2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
HTR7 P34969 8/20 0.53
HTR1A P08908 7/20 0.53
HTR2A P28223 2/20 0.53
HTR5A P47898 1/20 0.53
ADRB2 P07550 1/20 0.48
HTR2B P41595 3/20 0.43
HTR3A P46098 4/20 0.42
HTR1D P28221 2/20 0.42
HTR2C P28335 2/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRB1 P08588 3/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL27687362 0.81 HTR6 (0.57) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL27687352 0.81 HTR1A (0.54) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL4909469 0.79 HTR7 (0.58) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL7055201 0.79 HTR7 (0.57) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL3218230 0.77 HTR3A (0.47) HTR6HTR7HTR1AHTR2AHTR5A
Trifluoroacetic Acid SCHEMBL28779025 0.72 BACE1 (0.43) HTR6HTR7HTR1AHTR2AHTR5A
Pyridine SCHEMBL28147257 0.72 HTR1A (0.46) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL10566917 0.72 HTR6 (1.00) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL29915638 0.71 ADRB1 (0.41) HTR6HTR7HTR1AADRB2HTR2B
SCHEMBL5566823 0.70 HTR7 (0.63) HTR6HTR7HTR1AHTR2AHTR5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084205-A N-biaryl and n-arylheteroaryl piperazine derivatives as modulators of the 5ht2c receptor useful for the treatment of disorders related thereto ARENA PHARM INC (US) 2007-12-05 CN claimed
CN-101084205-A N-biaryl and n-arylheteroaryl piperazine derivatives as modulators of the 5ht2c receptor useful for the treatment of disorders related thereto ARENA PHARM INC (US) 2007-12-05 CN disclosed