SCHEMBL7965008

SCHEMBL7965008

Clc1cccc2sc(C3=CCNCC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PDE10A Q9Y233 1/20 0.44
HTR2C P28335 4/20 0.43
SIGMAR1 Q99720 2/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMB8 P28062 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
F2RL3 Q96RI0 3/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL7838235 0.84 ALDH1A1 (0.44) HTR2CSIGMAR1MAPTALDH1A1GAA
SCHEMBL7826395 0.81 ALDH1A1 (0.55) HTR2CSIGMAR1HPGDMAPTMEN1
SCHEMBL7848328 0.81 PDK4 (0.44) PDE10A
SCHEMBL7837379 0.77 APEX1 (0.50) LMNAPDE10AHTR2CSIGMAR1MAPT
Hydrochloric Acid SCHEMBL8708293 0.76 HTR2C (0.50) LMNAPDE10AHTR2CSIGMAR1MAPT
SCHEMBL7825476 0.73 SIGMAR1 (0.49) LMNAHTR2CSIGMAR1MAPTMEN1
Hydrochloric Acid SCHEMBL8709798 0.72 DRD4 (0.53) HTR2CSIGMAR1MAPTGAARAB9A
SCHEMBL1747928 0.72 LMNA (0.66) LMNAPDE10AHPGDMAPTMEN1
SCHEMBL7867866 0.71 HTR2C (0.48) HTR2CSIGMAR1MAPTALDH1A1DRD3
SCHEMBL5323553 0.71 HTR2C (0.57) HTR2CSIGMAR1MAPTALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed