SCHEMBL24746112

SCHEMBL24746112

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.47
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
PIM1 P11309 1/20 0.40
CDK4 P11802 2/20 0.40
CDK6 Q00534 2/20 0.40
SOS1 Q07889 1/20 0.40
DYRK1A Q13627 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL24746026 0.92 MCHR1 (0.46) MCHR1CDK4CDK6DYRK1AMAP4K4
SCHEMBL14307264 0.84 ACVR1 (0.46) MCHR1CDK4CDK6
SCHEMBL29112389 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL29891310 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL30630167 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL30630157 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL29112270 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL24747195 0.84 MCHR1 (0.43) MCHR1ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL12697233 0.80 NPC1 (0.45) MAP4K4CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL23107828 0.79 ABL1 (0.43) PIM1CHRNB2CHRNA4CHRNB1CHRNB4

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed