SCHEMBL8630532

SCHEMBL8630532

Clc1ccc(N2CCN(Cn3ncc4ccccc43)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
DRD4 P21917 8/20 0.46
DRD3 P35462 5/20 0.46
TRPV1 Q8NER1 1/20 0.44
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 2/20 0.43
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL8628029 0.85 DRD2 (0.46) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8628179 0.84 KDM4E (0.50) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL8629425 0.84 DRD4 (0.56) DRD2DRD4DRD3HTR1AHTR2C
SCHEMBL8633168 0.82 HTR3A (0.55) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8628045 0.82 DHFR (0.43) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL8634968 0.82 DRD4 (0.57) DRD4ALDH1A1MAPTKMT2APOLB
Hydrochloric Acid SCHEMBL8629946 0.81 DRD4 (0.56) DRD4ALDH1A1MAPTKMT2APOLB
SCHEMBL8631634 0.80 HRH3 (0.59) HTR1AHTR2CHTR7ALDH1A1RECQL
SCHEMBL8627836 0.78 DRD4 (0.45) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL8633681 0.78 RECQL (0.50) DRD2DRD4DRD3SIGMAR1HTR1A

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-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed