SCHEMBL6479324

SCHEMBL6479324

[CH2]n1c(C2CCC2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 2/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
ATM Q13315 1/20 0.43
CHRM1 P11229 3/20 0.43
HRH1 P35367 3/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 2/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL5851495 0.93 ALDH1A1 (0.50) CNR2CNR1USP2POLBALDH1A1
SCHEMBL6479330 0.79 TAAR1 (0.61) CNR2USP2POLBTAAR1
SCHEMBL12791633 0.76 TAAR1 (0.61) CNR2USP2POLBTAAR1
SCHEMBL3969006 0.76 USP2 (0.61) CNR2CNR1USP2POLBALDH1A1
SCHEMBL3969841 0.76 CNR2 (0.53) CNR2CNR1USP2POLBALDH1A1
SCHEMBL13196912 0.75 TLR7 (0.62) CNR2CNR1USP2POLBTAAR1
SCHEMBL13052920 0.73 USP2 (0.52) CNR2CNR1USP2POLBALDH1A1
SCHEMBL8022188 0.72 USP2 (0.54) CNR2CNR1USP2POLBATM
SCHEMBL6461068 0.72 ESR2 (0.54) CNR2CNR1USP2POLB
SCHEMBL5851500 0.71 TAAR1 (0.60) ALDH1A1GAATAAR1

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-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed