SCHEMBL25082069

SCHEMBL25082069

CC(C)c1cc(NCC2CCOC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ DRD4 P21917 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ NAMPT P43490 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ GRM4 Q14833 2/20 0.34
▸ TRPC5 Q9UL62 1/20 0.34
▸ SCN5A Q14524 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
SCHEMBL12160709 0.78 ALDH1A1 (0.44) CNR2EGLN2NAMPTSMN1; SMN2KDM4E
SCHEMBL19287728 0.74 BACE1 (0.46) BACE1BACE2CDK9CNR2MAPK1
SCHEMBL12176285 0.73 MAPT (0.42) CNR2EGLN2NAMPTKDM4EALDH1A1
SCHEMBL21163853 0.73 MAPT (0.42) CNR2EGLN2NAMPTKDM4EALDH1A1
SCHEMBL19121669 0.71 ADRA2C (0.39) SMN1; SMN2KDM4EALDH1A1MAPTP2RX3
SCHEMBL17852320 0.71 TRPC5 (0.48) BACE1CNR2EGLN2NAMPTSMN1; SMN2
SCHEMBL22699596 0.70 EPHX1 (0.45) CCNT1CDK9CNR2DRD4NAMPT
SCHEMBL19121498 0.70 LMNA (0.40) BACE1BACE2SMN1; SMN2KDM4E
SCHEMBL24302650 0.68 RORC (0.43) BACE1BACE2P2RX3
SCHEMBL13836012 0.68 BACE1 (0.52) BACE1BACE2

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-2023020209-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-23 — — WO disclosed
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