SCHEMBL7616589

SCHEMBL7616589

CN1CCc2cc(Cl)c(OC(=O)/C=C\C(=O)Oc3cc4c(cc3Cl)CCN(C)C[C@@H]4c3ccccc3)cc2[C@@H](c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 12/20 0.68
▸ DRD2 P14416 5/20 0.68
▸ DRD5 P21918 4/20 0.68
▸ CYP2D6 P10635 4/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ CYP1A2 P05177 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ THPO P40225 2/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ LMNA P02545 1/20 0.63
▸ ADRB2 P07550 1/20 0.63
▸ GPR183 P32249 1/20 0.63
▸ APLNR P35414 1/20 0.63
▸ GLP1R P43220 1/20 0.63
▸ CX3CR1 P49238 1/20 0.63

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
SCHEMBL9879315 1.00 DRD1 (0.68) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11566588 1.00 DRD1 (0.68) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11103691 0.89 DRD1 (0.67) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11110006 0.88 DRD1 (0.64) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11103673 0.88 DRD1 (0.64) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11102588 0.87 DRD1 (0.63) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11103665 0.87 DRD1 (0.63) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11395200 0.87 DRD1 (0.63) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11110497 0.87 DRD1 (0.63) DRD1DRD2DRD5CYP2D6HSD17B10
SCHEMBL11107073 0.87 DRD1 (0.63) DRD1DRD2DRD5CYP2D6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058551-A1 USE OF D1/D5 ANTAGONISTS FOR TREATING OBSESSIVE COMPULSIVE DISORDERS, SOMATOFORM DISORDERS, DISSOCIATIVE DISORDERS, EATING DISORDERS, IMPULSE CONTROL DISORDERS AND AUTISM SCHERING CORPORATION (US) 2000-12-13 — — EP claimed
WO-1999044615-A1 USE OF D1/D5 ANTAGONISTS FOR TREATING OBSESSIVE COMPULSIVE DISORDERS, SOMATOFORM DISORDERS, DISSOCIATIVE, EATING DISORDERS, IMPULSE CONTROL DISORDERS AND AUTISM SCHERING CORPORATION (US) 1999-09-10 — — WO claimed
US-6410527-B1 PSYCHOLOGICAL DISORDERS SCHERING CORPORATION 2002-06-25 — — US disclosed
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