SCHEMBL23107828

SCHEMBL23107828

Cc1ccc(N2CCC[C@H](O)C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
SMPD3 Q9NY59 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNMA1 Q12791 1/20 0.41
SLC6A9 P48067 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SYK P43405 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40

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
SCHEMBL23107053 1.00 ABL1 (0.43) ABL1KMT2AMAPTPIM1PIM3
SCHEMBL24859477 0.92 ABL1 (0.49) ABL1MAPTSLC6A9CHRNB2CHRNA4
SCHEMBL20037743 0.92 ABL1 (0.49) ABL1MAPTSLC6A9CHRNB2CHRNA4
SCHEMBL23107766 0.91 MAPT (0.46) ABL1KMT2AMAPTSMN1; SMN2SLC6A9
SCHEMBL23107765 0.91 MAPT (0.46) ABL1KMT2AMAPTSMN1; SMN2SLC6A9
SCHEMBL14845638 0.85 CHRNB2 (0.45) ABL1MAPTSLC6A9CHRNB2CHRNA4
SCHEMBL17664584 0.83 MAPT (0.50) ABL1MAPTSLC6A9CHRNB2CHRNA4
SCHEMBL12697233 0.83 NPC1 (0.45) MAPTCHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL25372604 0.81 DOT1L (0.44) PIM1PIM3PIM2CHRNB2CHRNA4
SCHEMBL24746250 0.81 SLC6A9 (0.41) KMT2AMAPTSLC6A9CHRNB2CHRNA4

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-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed