SCHEMBL9522239

SCHEMBL9522239

c1ccc2c(c1)CN(C1CCNCC1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.43
HTR2A P28223 4/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HTR2B P41595 4/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL7400974 0.73 PARP1 (0.47) HTR2CHTR2AHTR2BPARP1NAMPT
SCHEMBL11242393 0.72 HTR2C (0.49) HTR2CHTR2AHTR2BPARP1
Hydrochloric Acid SCHEMBL11101784 0.72 PARP1 (0.46) HTR2CHTR2AHTR2BPARP1NAMPT
SCHEMBL7985474 0.71 HTR2C (0.50) HTR2CHTR2AHTR2BKMT2APARP1
SCHEMBL11665238 0.67 HTR2C (0.40) HTR2CHTR2AHTR2BALDH1A1PARP1
SCHEMBL12537066 0.67 HTR2C (0.46) HTR2CHTR2AHTR2BKMT2APARP1
SCHEMBL3070795 0.66 HRH3 (0.51) HTR2CHTR2AHTR2BKMT2ASIGMAR1
SCHEMBL38662568 0.66 PIM1 (0.49) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL28229327 0.65 NPC1 (0.44) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL14069048 0.65 HTR2C (0.46) HTR2CHTR2AHTR2BPARP1SLC18A3

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-0557289-A1 4-(1,2-BENZISOXAZOLYL)PIPERIDINE ANTIPSYCHOTIC AGENTS. PFIZER (US) 1993-09-01 EP claimed