SCHEMBL29964809

SCHEMBL29964809

O=C(c1nc2ccccc2s1)N1C[C@@H]2CC[C@@H](Nc3ccc(Cl)nn3)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
PDE10A Q9Y233 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RBP4 P02753 1/20 0.40
MAOB P27338 1/20 0.38
CHRNA7 P36544 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
PDE2A O00408 1/20 0.37
CNR1 P21554 3/20 0.36
TP53 P04637 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CCR1 P32246 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL29964843 0.79
SCHEMBL22398023 0.78 LMNA (0.35) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL26983445 0.78 LMNA (0.35) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL26983407 0.77 ALDH1A1 (0.40) RAB9AHPGDALDH1A1GAANPC1
SCHEMBL26983466 0.77 RAB9A (0.47) RAB9AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL29964984 0.77 RAB9A (0.47) RAB9AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL29964778 0.76 NAMPT (0.34) CHRNA7
SCHEMBL26983408 0.75 DAO (0.33)
SCHEMBL29965222 0.73
SCHEMBL29964514 0.72 RHOA (0.44) HPGDALDH1A1TSHRHCRTR1HCRTR2

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
CN-117120435-A ABHD6 antagonists 小野药品工业株式会社 2023-11-24 CN disclosed
WO-2022211060-A1 ABHD6 ANTAGONIST 小野薬品工業株式会社 2022-10-06 WO disclosed