SCHEMBL7867749

SCHEMBL7867749

Cc1ccc(CC2CN(CCc3cccnc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
TACR1 P25103 19/20 0.43

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
Hydrochloric Acid SCHEMBL5360883 0.99 HSD11B1 (0.43) HSD11B1TACR1
SCHEMBL5518798 0.95 TACR1 (0.42) HSD11B1TACR1
Hydrochloric Acid SCHEMBL5372626 0.95 TACR1 (0.41) HSD11B1TACR1
Hydrochloric Acid SCHEMBL5367674 0.91 HIF1A (0.46) TACR1
Hydrochloric Acid SCHEMBL7556699 0.88 TACR1 (0.42) HSD11B1TACR1
Hydrochloric Acid SCHEMBL5359811 0.86 TACR1 (0.42) HSD11B1TACR1
Hydrochloric Acid SCHEMBL7864846 0.86 TACR1 (0.42) HSD11B1TACR1
Hydrochloric Acid SCHEMBL5361172 0.85 TACR1 (0.41) HSD11B1TACR1
SCHEMBL5367592 0.85 TACR1 (0.40) TACR1
SCHEMBL5367083 0.85 HSD11B1 (0.39) HSD11B1TACR1

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-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed