SCHEMBL2598864

SCHEMBL2598864

Cc1ccc2c(c1)OCCC1CN(C(=O)O)C[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.38
TERT O14746 1/20 0.35
KDM4C Q9H3R0 6/20 0.34
KDM6B O15054 3/20 0.34
MAP3K14 Q99558 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CREBBP Q92793 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.32
GRIN2B Q13224 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL1805656 1.00 HSD17B2 (0.38) HSD17B2TERTKDM4CKDM6BMAP3K14
SCHEMBL1805655 1.00 HSD17B2 (0.38) HSD17B2TERTKDM4CKDM6BMAP3K14
SCHEMBL1805654 1.00 HSD17B2 (0.38) HSD17B2TERTKDM4CKDM6BMAP3K14
SCHEMBL1809486 0.84 DRD2 (0.48) KDM4CMAPTGRIN2BRIPK1
SCHEMBL1809487 0.84 DRD2 (0.48) KDM4CMAPTGRIN2BRIPK1
SCHEMBL1809482 0.84 DRD2 (0.48) KDM4CMAPTGRIN2BRIPK1
SCHEMBL860736 0.82 DRD2 (0.43) TRPV1
SCHEMBL860734 0.82 DRD2 (0.43) TRPV1
SCHEMBL860735 0.82 DRD2 (0.43) TRPV1
SCHEMBL1806680 0.78 DRD2 (0.46) KDM4CHCRTR2MAPT

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
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed