SCHEMBL30067321

SCHEMBL30067321

COC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
ADRB1 P08588 3/20 0.38
REN P00797 1/20 0.35
PRKCQ Q04759 1/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SCN9A Q15858 4/20 0.33
SCN10A Q9Y5Y9 3/20 0.33
TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL30067331 1.00 LTA4H (0.41) LTA4HADRB1RENPRKCQCHRNB4
SCHEMBL1206174 1.00 LTA4H (0.41) LTA4HADRB1RENPRKCQCHRNB4
SCHEMBL5732869 0.86 LTA4H (0.34) LTA4HADRB1
SCHEMBL7241545 0.79 BCHE (0.36) LTA4HADRB1
SCHEMBL30067414 0.78 LTA4H (0.33) LTA4HADRB1
SCHEMBL7419062 0.77 SLC6A1 (0.39) LTA4HADRB1
SCHEMBL236732 0.77 HRH4 (0.39)
SCHEMBL191624 0.77 HRH4 (0.39)
SCHEMBL191625 0.77 HRH4 (0.39)
SCHEMBL26061241 0.76 PRKCQ (0.31) PRKCQSCN9ASCN10A

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
WO-2022240971-A2 KRAS G12D INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2022-11-17 WO disclosed