SCHEMBL4725729

SCHEMBL4725729

CC1(C)CNCC=C1c1c[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.46
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
IGF1R P08069 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
HTR1A P08908 2/20 0.40
HTR6 P50406 2/20 0.40
HTR7 P34969 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
MAP3K14 Q99558 1/20 0.40
MPO P05164 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
DRD1 P21728 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
SCHEMBL2159364 0.74 CDK9 (0.40) CDK9CCNT1SLC6A2SLC6A3
SCHEMBL2778860 0.71 HTR6 (0.67) SLC6A4HTR6HTR7HTR2AHTR2C
SCHEMBL9268634 0.67 NR4A2 (0.68) SLC6A4HTR1AHTR6HTR7GPR84
SCHEMBL6333063 0.66 CDK9 (0.41) CDK9CCNT1
SCHEMBL7826159 0.65 KDR (0.68) SLC6A4IGF1RPDGFRBKITPDGFRA
SCHEMBL14440430 0.65 SIRT2 (0.63) SLC6A4IGF1RPDGFRBKITPDGFRA
SCHEMBL7195501 0.65 SIRT2 (0.63) SLC6A4IGF1RPDGFRBKITPDGFRA
Ethylene SCHEMBL6640393 0.65 SLC6A4 (0.57) SLC6A4HTR1AHTR6HTR7GPR84
SCHEMBL11573397 0.64 NR4A2 (0.64) SLC6A4HTR1AHTR7GPR84MAP3K14
SCHEMBL5426923 0.64 HTR1A (0.53) SLC6A4HTR1AHTR6HTR7GPR84

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
WO-2008015516-A1 FUSED TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF SCHIZOPHRENIA PFIZER PRODUCTS INC. (US) 2008-02-07 WO disclosed