SCHEMBL9301480

SCHEMBL9301480

c1ccc(CCCCCc2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
SIGMAR1 Q99720 5/20 0.55
MCL1 Q07820 3/20 0.50
BID P55957 1/20 0.50
BCL2L1 Q07817 1/20 0.50
BAK1 Q16611 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL8935957 1.00 GPR84 (0.58) GPR84SIGMAR1MCL1BIDBCL2L1
SCHEMBL4948339 0.98 GPR84 (0.59) GPR84SIGMAR1MCL1BIDBCL2L1
SCHEMBL652141 0.94 GPR84 (0.64) GPR84SIGMAR1MCL1CYP1A2CYP2C9
SCHEMBL9800436 0.88 CYP1A2 (0.58) GPR84SIGMAR1MCL1CYP1A2CYP2C9
SCHEMBL10446312 0.86 SIGMAR1 (0.47) GPR84SIGMAR1MCL1BIDBCL2L1
SCHEMBL1826164 0.86 CYP1A2 (0.52) GPR84SIGMAR1MCL1CYP1A2CYP2C9
SCHEMBL5830948 0.83 GPR84 (0.59) GPR84SIGMAR1MCL1CYP1A2CYP2C9
SCHEMBL130648 0.81 SLC6A4 (0.50) GPR84SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL6679058 0.81 CYP1A2 (0.47) GPR84SIGMAR1MCL1CYP1A2CYP2C9
SCHEMBL130639 0.81 CYP1A2 (0.47) GPR84SIGMAR1MCL1CYP1A2CYP2C9

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-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed