SCHEMBL11103752

SCHEMBL11103752

CN1CCC(N2Cc3ccccc3Cc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
HTR2B P41595 4/20 0.49
HTR2C P28335 4/20 0.49
CYP3A4 P08684 3/20 0.49
DRD3 P35462 3/20 0.49
DRD1 P21728 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
CYP2C9 P11712 2/20 0.49
CHRM2 P08172 2/20 0.49
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49

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
SCHEMBL11111967 0.86 DRD3 (0.41) HTR2AHTR2BHTR2CCYP3A4DRD3
SCHEMBL11106470 0.86 DRD2 (0.46) HTR2AHTR2BHTR2CCYP3A4DRD3
SCHEMBL11104065 0.84 DRD2 (0.47) HTR2AHTR2BHTR2CDRD3DRD1
SCHEMBL9280480 0.81 HTR2C (0.56) HTR2AHTR2BHTR2CCYP3A4DRD3
SCHEMBL2675996 0.78 OPRM1 (0.62) HTR2AHTR2BHTR2CDRD3DRD1
SCHEMBL11256455 0.77 P2RX4 (0.48) CYP3A4MEN1KMT2ADRD2DRD4
SCHEMBL11258249 0.77 CYP2D6 (0.49) HTR2AHTR2BHTR2CDRD3DRD1
SCHEMBL2675787 0.75 HTR2C (0.57) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL2675247 0.74 HTR2C (0.56) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL7808866 0.73 OPRM1 (0.41) HTR2AHTR2BHTR2CCYP3A4DRD3

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-4434171-A NEUROLEPTIC, ANTIDEPRESSANT SANDOZ LTD. (CH) 1984-02-28 US claimed