SCHEMBL11545602

SCHEMBL11545602

Clc1ccc(Oc2cccnc2N2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
HTR1A P08908 3/20 0.50
SLC6A2 P23975 3/20 0.50
EPHX2 P34913 1/20 0.48
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TRPA1 O75762 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR2C P28335 1/20 0.43

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
SCHEMBL31651836 0.87 HTR1A (0.61) LTA4HHTR1ASLC6A2EPHX2SLC6A4
SCHEMBL11544723 0.87 HTR1A (0.61) LTA4HHTR1ASLC6A2EPHX2SLC6A4
Hydrochloric Acid SCHEMBL11549809 0.86 HTR1A (0.60) LTA4HHTR1ASLC6A2EPHX2SLC6A4
SCHEMBL11545649 0.82 HTR1A (0.68) HTR1ASLC6A2EPHX2SLC6A4SLC6A3
SCHEMBL1026306 0.77 CYP2C19 (0.57) HTR1ASLC6A2EPHX2HTR3EHTR3B
SCHEMBL11544826 0.77 EPHX2 (0.52) HTR1ASLC6A2EPHX2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1969103 0.76 LMNA (0.58) HTR1ASLC6A2EPHX2HTR3EHTR3B
Hydrochloric Acid SCHEMBL30069213 0.76 LMNA (0.58) HTR1ASLC6A2EPHX2HTR3EHTR3B
Hydrochloric Acid SCHEMBL30069211 0.76 LMNA (0.58) HTR1ASLC6A2EPHX2HTR3EHTR3B
Hydrochloric Acid SCHEMBL26600676 0.76 LMNA (0.58) HTR1ASLC6A2EPHX2HTR3EHTR3B

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-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed