SCHEMBL26523084

SCHEMBL26523084

O=C(NC1CCNCC1)C1(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 5/20 0.49
▸ SSTR1 P30872 4/20 0.49
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL26523249 0.86 SSTR4 (0.53) SSTR4SSTR1FPR3FPR2EPHX1
SCHEMBL26523041 0.82 SSTR4 (0.58) SSTR4SSTR1ACKR3SIGMAR1
SCHEMBL26126614 0.81 SSTR4 (0.73) SSTR4SSTR1FPR2
SCHEMBL26122040 0.80 SSTR4 (0.69) SSTR4SSTR1LMNA
SCHEMBL26523155 0.79 SSTR4 (0.70) SSTR4SSTR1EPHX2NPC1RAB9A
SCHEMBL3638096 0.79 SIGMAR1 (0.58) LMNAEPHX2NPC1RAB9ASIGMAR1
SCHEMBL7919878 0.77 EPHX1 (0.50) SSTR4SSTR1EPHX1EPHX2NPC1
SCHEMBL31682182 0.76 SSTR4 (0.39) SSTR4SSTR1
Trifluoroacetic Acid SCHEMBL30601840 0.75 SSTR4 (0.62) SSTR4SSTR1LMNA
SCHEMBL26523105 0.74 EPHX1 (0.48) SSTR4SSTR1FPR3FPR2EPHX1

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-2023187677-A1 N-(PYRROLIDIN-3-YL OR PIPERIDIN-4-YL)ACETAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-05 — — WO disclosed
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