SCHEMBL24975801

SCHEMBL24975801

Cc1ccc2cc(/C=C/C(=O)NC3CCN(C4COC4)CC3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.41
MCHR1 Q99705 5/20 0.41
SLC2A1 P11166 1/20 0.39
CD38 P28907 1/20 0.39
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31428436 1.00 MAOB (0.43) MAOBRAB9AALDH1A1LMNACNR2
SCHEMBL31428996 0.88 MAOB (0.42) MAOBRAB9AALDH1A1LMNACNR2
SCHEMBL31428913 0.82 HPGD (0.43) MAOBRAB9AALDH1A1NPC1
SCHEMBL31428611 0.72 HRH3 (0.47) LMNAMCHR1CD38CCR3KCNH2
SCHEMBL30163508 0.71 RAB9A (0.57) MAOBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL30163534 0.70 L3MBTL3 (0.47) RAB9ANPC1
SCHEMBL31429046 0.69 GPR183 (0.42) MAOBRAB9AALDH1A1LMNANPC1
SCHEMBL24977246 0.69 GPR183 (0.41) MAOBRAB9AALDH1A1KCNH2NPC1
SCHEMBL30163574 0.68 HRH3 (0.42) RAB9ALMNAKCNH2NPC1SMN1; SMN2
SCHEMBL13410163 0.65 CYP1A2 (0.61) RAB9AALDH1A1LMNANPC1SMN1; SMN2

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed