SCHEMBL31045828

SCHEMBL31045828

C[C@H]1CN(c2ccc(F)nc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CDK4 P11802 8/20 0.42
MAPT P10636 1/20 0.42
CDK6 Q00534 4/20 0.42
CCND1 P24385 3/20 0.42
CDK1 P06493 5/20 0.40
CCNA2 P20248 5/20 0.40
CCND3 P30281 3/20 0.40
CCNB1 P14635 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
BCL2A1 Q16548 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 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
SCHEMBL18479402 0.83 KHK (0.48) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL22414247 0.81 CHRNB2 (0.47) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL25949375 0.81 CHRNB2 (0.47) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL2819513 0.81 CHRNB2 (0.47) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL3612506 0.80 MAPT (0.46) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL2155136 0.80 MAPT (0.46) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL20139207 0.80 MAPT (0.46) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL25085585 0.79 KHK (0.48) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL20414146 0.79 MAPT (0.43) KHKCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL27140328 0.79 KHK (0.45) KHKADRA2AADRA2BADRA2CCDK4

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
EP-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed