SCHEMBL8716351

SCHEMBL8716351

CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.44
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE2A O00408 1/20 0.37
MC4R P32245 1/20 0.37
HSD11B1 P28845 1/20 0.35
TP53 P04637 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8716354 1.00 GRIN2B (0.44) GRIN2BKCNJ5KCNJ3SLC6A2SLC6A4
SCHEMBL8713281 0.87 PNMT (0.45) PDE2AMC4RTP53HTR2AHTR2C
SCHEMBL8713278 0.87 PNMT (0.45) PDE2AMC4RTP53HTR2AHTR2C
SCHEMBL8713637 0.86 HSD11B1 (0.36) HSD11B1HTR2AHTR2CHTR2BADRA2A
SCHEMBL8713634 0.86 HSD11B1 (0.36) HSD11B1HTR2AHTR2CHTR2BADRA2A
SCHEMBL8716580 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADRA2AADRA2C
SCHEMBL8716583 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADRA2AADRA2C
SCHEMBL8713658 0.85 LMNA (0.47) SLC6A2SLC6A4SLC6A3HTR2AADRA2A
SCHEMBL8713656 0.85 LMNA (0.47) SLC6A2SLC6A4SLC6A3HTR2AADRA2A
SCHEMBL8716732 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRA2AADRA2C

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed