SCHEMBL8423914

SCHEMBL8423914

c1ccc(Oc2ccc(SC3CCNCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 7/20 0.47
HTR1A P08908 6/20 0.47
HRH1 P35367 2/20 0.47
LTA4H P09960 5/20 0.46
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL8425287 0.84 MAOA (0.47) LTA4HTSHRKDM1A
SCHEMBL1143535 0.84 SLC18A3 (0.48) SLC6A2SLC6A4HRH1MEN1CYP1A2
SCHEMBL8426331 0.83 MAOA (0.50) LTA4HTSHRKDM1A
Ammonia Solution, Strong SCHEMBL8838918 0.82 SLC18A3 (0.47) SLC6A2SLC6A4HRH1MEN1CYP1A2
Hydrochloric Acid SCHEMBL1019763 0.82 SLC18A3 (0.47) SLC6A2SLC6A4HTR1AHRH1MEN1
Hydrochloric Acid SCHEMBL23410190 0.80 SLC18A3 (0.45) SLC6A2SLC6A4HRH1MEN1CYP1A2
SCHEMBL8428052 0.80 PARP14 (0.43) LTA4HTSHRKMT2AKDM1A
SCHEMBL8428605 0.79 TDP1 (0.50) HTR1AMEN1KMT2ASIGMAR1KDM1A
SCHEMBL10794455 0.77 MAOB (0.43) SLC6A2SLC6A4HRH1MEN1CYP1A2
Hydrochloric Acid SCHEMBL10798935 0.76 MAOB (0.42) SLC6A2SLC6A4HRH1MEN1CYP1A2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed