SCHEMBL11111967

SCHEMBL11111967

CN1CCC(N2Cc3cc(F)ccc3Cc3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
DRD2 P14416 4/20 0.41
CYP3A4 P08684 3/20 0.41
HTR1A P08908 3/20 0.41
SLC6A4 P31645 3/20 0.41
HRH1 P35367 3/20 0.41
DRD1 P21728 3/20 0.41
DRD4 P21917 3/20 0.41
HTR2B P41595 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR1D P28221 2/20 0.41
CYP2C9 P11712 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL11103752 0.86 HTR2A (0.49) DRD3HTR2AHTR2CDRD2CYP3A4
SCHEMBL11106470 0.85 DRD2 (0.46) DRD3HTR2AHTR2CDRD2CYP3A4
SCHEMBL11104065 0.78 DRD2 (0.47) DRD3HTR2AHTR2CDRD2HTR1A
SCHEMBL11253695 0.78 P2RX4 (0.42) HTR2AHTR2CDRD2HTR1ASLC6A4
SCHEMBL11241659 0.78 CYP1A2 (0.42) DRD3HTR2AHTR2CDRD2CYP3A4
SCHEMBL2615223 0.71 HTR2A (0.74) DRD3HTR2AHTR2CDRD2CYP3A4
SCHEMBL2675996 0.70 OPRM1 (0.62) DRD3HTR2AHTR2CDRD2HTR1A
SCHEMBL19847343 0.70 HTR2C (0.43) DRD3HTR2AHTR2CDRD2HTR1A
SCHEMBL9280480 0.69 HTR2C (0.56) DRD3HTR2AHTR2CDRD2CYP3A4
SCHEMBL11258249 0.69 CYP2D6 (0.49) DRD3HTR2AHTR2CHTR1ASLC6A4

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