SCHEMBL10609657

SCHEMBL10609657

c1cnc(N2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP2D6 P10635 4/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
PTPN11 Q06124 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 4/20 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
SCHEMBL18484139 0.80 PTPN11 (0.43) TSHRKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12490953 0.80 PTPN11 (0.43) TSHRKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3161270 0.79 ALDH1A1 (0.56) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL23593463 0.79 PTPN11 (0.48) TSHRKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8297011 0.78 ALDH1A1 (0.46) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL12491029 0.76 PIK3CA (0.41) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2557704 0.76 PTPN11 (0.44) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL12572057 0.75 ALDH1A1 (0.52) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL8297012 0.75 ALDH1A1 (0.46) CYP3A4TSHRMEN1KMT2AKDM4E
SCHEMBL8298031 0.75 ALDH1A1 (0.46) TSHRMEN1KMT2AKDM4EALDH1A1

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
US-4751305-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-06-14 US disclosed
US-4748246-A INTERLEUKIN ANTAGONISTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed