SCHEMBL28646033

SCHEMBL28646033

C[C@@H]1CN(c2cnc(C(F)(F)F)nc2)C[C@@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ CHRM4 P08173 8/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ OPRL1 P41146 1/20 0.35
▸ LCAT P04180 3/20 0.34
▸ SLC6A9 P48067 1/20 0.34

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
SCHEMBL23744764 1.00 EIF2AK4 (0.39) EIF2AK4CHRM4CHRM2CHRM1CHRM3
SCHEMBL20555984 1.00 EIF2AK4 (0.39) EIF2AK4CHRM4CHRM2CHRM1CHRM3
SCHEMBL15203482 0.80 DHFR (0.45) EIF2AK4CHRM4CHRM2CHRNB4CHRNA3
SCHEMBL23561115 0.79 TGFBR1 (0.39) CHRNB4CHRNA3
SCHEMBL26088929 0.74 CHRM4 (0.53) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23727544 0.73 EIF2AK4 (0.44) EIF2AK4CHRM4CHRM2CHRM1
SCHEMBL18825871 0.73 EIF2AK4 (0.44) EIF2AK4CHRM4CHRM2CHRM1
SCHEMBL20555935 0.73 CHRM2 (0.44) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23728111 0.72 NOTUM (0.45) EIF2AK4CHRNB4CHRNA3
SCHEMBL17513742 0.72 NOTUM (0.45) EIF2AK4CHRNB4CHRNA3

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-3371164-B1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES INC (US) 2022-03-16 — — EP disclosed
CN-108349936-B Compounds as muscarinic receptor 4 antagonists 纽罗克里生物科学有限公司 2021-10-01 — — CN disclosed
Send feedback