SCHEMBL7781841

SCHEMBL7781841

O=C(NCCN1CC2C(C1)C2c1ccc(F)cc1)c1sc2ccccc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 2/20 0.51
PRNP P04156 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 7/20 0.50
OGG1 O15527 2/20 0.50
NPC1 O15118 5/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
PRSS12 P56730 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8878607 0.90 LMNA (0.56) LMNARXFP1PRNPNPSR1RAB9A
SCHEMBL8876128 0.82 LMNA (0.58) LMNARXFP1PRNPRAB9AOGG1
SCHEMBL8875335 0.78 LMNA (0.53) LMNARXFP1RAB9AOGG1NPC1
SCHEMBL7781230 0.76 CD274 (0.56) DRD2DRD3
SCHEMBL7078781 0.76 LMNA (0.41) LMNARXFP1PRNPNPSR1RAB9A
SCHEMBL10148327 0.71 OGG1 (0.71) LMNARXFP1PRNPRAB9AOGG1
SCHEMBL7774100 0.70 F10 (0.52) HPGD
SCHEMBL16562249 0.70 MAPT (0.76) RXFP1RAB9AOGG1NPC1KMT2A
SCHEMBL15931659 0.69 CA1 (0.74) LMNARXFP1PRNPRAB9AOGG1
SCHEMBL11086844 0.69 SMN1; SMN2 (0.66) LMNARXFP1RAB9AOGG1NPC1

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 3 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
EP-0731802-B1 N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES AS NEUROLEPTICS ETC. BASF AG (DE) 2000-07-12 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