SCHEMBL8203306

SCHEMBL8203306

Cc1cc(N2CC[CH]CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 3/20 0.35
MITF O75030 1/20 0.35
PDE4A P27815 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 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
SCHEMBL1269070 0.84 MAPT (0.43) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL20234660 0.81 ALDH1A1 (0.47) KMT2AALDH1A1TSHRKDM4ECYP1A2
SCHEMBL13285784 0.81 KMT2A (0.50) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL20325708 0.79 CYP1A2 (0.48) ALDH1A1CYP1A2
SCHEMBL20234338 0.75 MAPT (0.47) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL2004023 0.70 MAPT (0.46) NPC1MAPTRAB9A
SCHEMBL13622722 0.69 FFAR4 (0.43) KDM4E
SCHEMBL30877458 0.65 LMNA (0.42) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL18355724 0.65 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL27920493 0.65 SORD (0.50) LMNAKMT2AALDH1A1TSHRKDM4E

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-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed