SCHEMBL7774100

SCHEMBL7774100

O=C(NCCN1CC2C(C1)C2c1ccccc1)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.52
MAPK1 P28482 1/20 0.47
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
USP5 P45974 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL8876217 0.80 MAPK1 (0.45) F10MAPK1HPGDTSHR
SCHEMBL8878672 0.79 MAPK1 (0.43) F10MAPK1HPGDTSHR
SCHEMBL8877166 0.78 MAPK1 (0.41) F10MAPK1HPGDTSHR
SCHEMBL8576249 0.77 F10 (0.39) F10MAPK1HPGDTSHR
SCHEMBL7781841 0.70 LMNA (0.61) HPGD
SCHEMBL8135623 0.70 ALDH1A1 (0.55)
SCHEMBL5630030 0.70 MAPK1 (0.63) F10MAPK1HPGDTSHRF2
SCHEMBL24177659 0.68 F10 (1.00) F10F2
SCHEMBL77589 0.68 F10 (1.00) F10F2
SCHEMBL13698655 0.68 F10 (1.00) F10F2

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
EP-1133293-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000030639-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed