SCHEMBL856921

SCHEMBL856921

O=C(NCCc1ccc(Cl)cc1Cl)C1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C21CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 8/20 0.71
▸ FPR2 P25090 6/20 0.71
▸ ALDH1A1 P00352 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPGD P15428 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ P2RX7 Q99572 2/20 0.46
▸ METAP2 P50579 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL2683547 1.00 FPR3 (0.71) FPR3FPR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL855441 0.88 FPR3 (0.67) FPR3FPR2ALDH1A1CNR1P2RX7
SCHEMBL2682344 0.88 FPR3 (0.67) FPR3FPR2ALDH1A1CNR1P2RX7
SCHEMBL856708 0.84 FPR3 (0.76) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL2682166 0.84 FPR3 (0.76) FPR3FPR2ALDH1A1SMN1; SMN2TAAR1
SCHEMBL2682717 0.83 FPR3 (1.00) FPR3FPR2
SCHEMBL20013750 0.72 ALDH1A1 (1.00) FPR3FPR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL3529974 0.72 HPGD (0.67) ALDH1A1TDP1HPGDCNR1METAP2
SCHEMBL2683287 0.72 FPR3 (0.74) FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL2684819 0.71 FPR3 (1.00) FPR3FPR2

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
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 — — EP disclosed
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