SCHEMBL27468243

SCHEMBL27468243

C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.50
▸ CCKBR P32239 2/20 0.48
▸ PKM P14618 1/20 0.47
▸ PLD2 O14939 1/20 0.44
▸ PLD1 Q13393 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27467170 1.00 CCR1 (0.50) CCR1CCKBRPKMPLD2PLD1
SCHEMBL27468241 1.00 CCR1 (0.50) CCR1CCKBRPKMPLD2PLD1
SCHEMBL27467376 0.84 ALDH1A1 (0.49) CCR1POLBALDH1A1GAAHPGD
SCHEMBL27468442 0.84 ALDH1A1 (0.49) CCR1POLBALDH1A1GAAHPGD
SCHEMBL27467114 0.83 ACACB (0.47) CCR1PLD2PLD1
SCHEMBL27468115 0.83 ACACB (0.47) CCR1PLD2PLD1
SCHEMBL27468113 0.83 ACACB (0.47) CCR1PLD2PLD1
SCHEMBL27467860 0.81 CCR1 (0.52) CCR1CCKBR
SCHEMBL27466959 0.81 CCR1 (0.52) CCR1CCKBR
SCHEMBL27467862 0.81 CCR1 (0.52) CCR1CCKBR

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-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO disclosed
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