SCHEMBL18686013

SCHEMBL18686013

COc1ccc2c(c1)NCC[C@H]1CN(C)CCN21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR2B P41595 3/20 0.44
SIGMAR1 Q99720 2/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MMP2 P08253 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1350516 0.79 MEN1 (0.50) HTR2CHTR2BSIGMAR1HTR3EHTR3B
SCHEMBL2017872 0.78 DRD2 (0.41) HTR2CHTR2BSIGMAR1MAPTALDH1A1
SCHEMBL23469285 0.72 HTR3E (0.46) HTR2CHTR2BHTR3EHTR3BHTR3A
SCHEMBL11822257 0.68 HTR2C (0.51) HTR2CHTR2BSIGMAR1MAPTALDH1A1
SCHEMBL2565554 0.68 DRD2 (0.44) HTR2CHTR2BHTR3EHTR3BHTR3A
SCHEMBL11818669 0.68 HTR2C (0.51) HTR2CHTR2BSIGMAR1HTR6
SCHEMBL16565924 0.67 HTR2B (0.40) HTR2CHTR2BNPSR1
SCHEMBL5871641 0.66 HTR2C (0.65) HTR2CHTR2BHTR3EHTR3BHTR3A
SCHEMBL26675973 0.65 HTR2C (0.60) HTR2CHTR2BHTR3EHTR3BHTR3A
SCHEMBL11446133 0.64 MEN1 (0.60) HTR2CHTR2BSIGMAR1HTR3EHTR3B

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-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed