SCHEMBL9053418

SCHEMBL9053418

O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.65
GRIN2B Q13224 2/20 0.61

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
SCHEMBL4512783 0.93 DRD2 (0.71) CCR3
Hydrochloric Acid SCHEMBL7303580 0.92 DRD2 (0.69) CCR3
SCHEMBL7532115 0.89 GRIN2B (0.62) GRIN2B
Hydrochloric Acid SCHEMBL7305754 0.85 MEN1 (0.69)
SCHEMBL9050713 0.83 CCR3 (0.66) CCR3
SCHEMBL12123850 0.83 ACHE (0.78) GRIN2B
Hydrochloric Acid SCHEMBL9053162 0.82 CCR3 (0.65) CCR3
SCHEMBL5969423 0.81 CCR3 (0.67) CCR3
Hydrochloric Acid SCHEMBL7293384 0.81 HTR1A (0.66)
Hydrochloric Acid SCHEMBL29280936 0.81 MEN1 (0.59)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO claimed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed