SCHEMBL9560865

SCHEMBL9560865

CN1CCC(c2c[nH]c3ccc(-c4c[c]ccc4)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.58
HTR1B P28222 11/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
THPO P40225 1/20 0.58
HTR6 P50406 1/20 0.53
APP P05067 1/20 0.53
HTR1A P08908 2/20 0.51
HTR1F P30939 1/20 0.51
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOS1 P29475 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL7335724 0.86 HTR6 (0.68) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL27498567 0.81 HTR1D (0.66) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL27516181 0.80 HTR1D (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7022272 0.80 HTR1D (0.81) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7013279 0.80 HTR1D (0.64) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7017239 0.80 DRD2 (0.59) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8415022 0.79 HTR1D (0.59) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7016771 0.78 HTR1D (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7020706 0.78 HTR1D (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7013291 0.76 HTR1D (0.64) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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-0571471-A1 5-HETEROYL INDOLE DERIVATIVES. PFIZER (US) 1993-12-01 EP claimed