SCHEMBL17955439

SCHEMBL17955439

CN1CC[C@@H](Oc2cc(F)ccc2C(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
UTS2R Q9UKP6 11/20 0.46
RBP4 P02753 2/20 0.43
KMT2A Q03164 1/20 0.40

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
SCHEMBL17955466 1.00 HTR2C (0.51) HTR2CHTR2BUTS2RRBP4KMT2A
SCHEMBL17955438 0.93 KMT2A (0.44) HTR2CHTR2BUTS2RRBP4KMT2A
SCHEMBL17955447 0.84 SLC6A4 (0.43) HTR2CHTR2BRBP4
SCHEMBL17955442 0.84 SLC6A4 (0.43) HTR2CHTR2BRBP4
SCHEMBL17955427 0.82 RBP4 (0.52) HTR2CHTR2BUTS2RRBP4
SCHEMBL17955424 0.82 RBP4 (0.41) HTR2CHTR2BUTS2RRBP4
SCHEMBL16559749 0.82 RBP4 (0.52) HTR2CHTR2BRBP4KMT2A
SCHEMBL17955443 0.82 GPR6 (0.43) RBP4
SCHEMBL15062015 0.81 HTR2C (0.54) HTR2CHTR2BKMT2A
SCHEMBL15062023 0.81 HTR2C (0.54) HTR2CHTR2BKMT2A

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
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed