SCHEMBL28291347

SCHEMBL28291347

CN(C)c1ccc(C=C2CCN(C(C)(C)C)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL28292803 0.81 SRD5A2 (0.36) SRD5A2PROKR1
SCHEMBL20971831 0.79 SRD5A2 (0.42) SRD5A2
SCHEMBL20996920 0.68 KDM4E (0.39) SRD5A2
SCHEMBL15536669 0.67 PROKR1 (0.32) PROKR1CCR3
SCHEMBL30882789 0.66 CYP2A6 (0.47) PTGS2
SCHEMBL3186075 0.66 CYP2A6 (0.47) PTGS2
SCHEMBL28291353 0.64 MC4R (0.31) —
SCHEMBL17713023 0.63 GRIN2D (0.44) SRD5A2
SCHEMBL4245359 0.62 SMN1; SMN2 (0.45) SRD5A2
SCHEMBL20897942 0.62 PKM (0.32) —

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
CN-109661392-A For treating the mitochondrial inhibitors of proliferative disorder 巴斯利尔药物国际股份公司 2019-04-19 — — CN disclosed
Send feedback