SCHEMBL8806497

SCHEMBL8806497

O=C(CCc1c[nH]c2ccc(Cl)cc12)Nc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HPGD P15428 2/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
YES1 P07947 1/20 0.49
KDR P35968 1/20 0.49
JAK3 P52333 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL8804504 0.88 NPC1 (0.54) SNCAMTNR1AMTNR1BHPGDMMP9
SCHEMBL9054622 0.83 MTNR1A (0.66) MTNR1AMTNR1BHPGDHSD17B10ALDH1A1
SCHEMBL12782281 0.79 MAPT (0.61) HPGDLMNAALDH1A1NPC1POLB
SCHEMBL24726783 0.79 GPR84 (0.50) SNCAMTNR1AMTNR1BHPGDMMP9
SCHEMBL892530 0.77 HPGD (0.69) SNCAMTNR1AMTNR1BHPGDMMP9
SCHEMBL9054468 0.76 MAPT (0.74) HPGDLMNAALDH1A1POLB
SCHEMBL4878964 0.76 MTNR1A (0.69) SNCAMTNR1AMTNR1BHPGDMMP9
SCHEMBL6345092 0.76 HTR2A (0.61) SNCAMTNR1AMTNR1BHPGDMMP9
SCHEMBL18229449 0.76 LMNA (0.57) SNCAMTNR1AMTNR1BMMP9MMP8
SCHEMBL12782515 0.76 KMT2A (0.60) HPGDLMNAALDH1A1SMN1; SMN2NPC1

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-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP claimed
EP-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed