SCHEMBL25680979

SCHEMBL25680979

Cc1cnc2cc(C(C)C)nn2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GRM5 P41594 1/20 0.37
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
PDE2A O00408 1/20 0.30

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
SCHEMBL13086734 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL1993552 0.80 TDP1 (0.44) RAB9ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL10143654 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL23502135 0.77 NPC1 (0.35) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL25017791 0.76 KDM4E (0.38) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL25680999 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL25741795 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL23571997 0.75 LMNA (0.32) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL12615901 0.75 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL20341670 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed