SCHEMBL10567673

SCHEMBL10567673

NCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.52
HTR2C P28335 2/20 0.52
HTR7 P34969 2/20 0.52
CYP2D6 P10635 1/20 0.46
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 2/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7754129 0.84 CARM1 (0.55) HTR2AHTR2CCYP2D6PRMT3CARM1
SCHEMBL10459141 0.82 HTR2A (0.53) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL10460414 0.82 HTR2A (0.50) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL9872541 0.81 CYP2D6 (0.53) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL10460536 0.79 HTR2A (0.58) HTR2A
SCHEMBL8742998 0.79 HTR2A (0.50) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL9252180 0.78 SLC6A3 (0.64) HTR2AHTR7CYP2D6HTR6SLC6A3
SCHEMBL10558204 0.77 KDM4E (0.57) HTR2AHTR7CYP2D6HTR6SLC6A3
SCHEMBL10568624 0.77 HTR2A (0.45) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL10560791 0.76 DRD2 (0.57) HTR2AHTR7HTR6SLC6A3SLC6A2

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-4853387-A Piperidine derivatives, and their application in therapy SYNTHELABO (FR) 1989-08-01 US disclosed