SCHEMBL4757554

SCHEMBL4757554

Cc1cc(F)ccc1C1CNCCC1C(=O)N(C)S(=O)(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.38

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
SCHEMBL20530504 0.80 TACR1 (0.42) TACR1
SCHEMBL13949027 0.76 TACR1 (0.59) TACR1
SCHEMBL5006410 0.75 TACR1 (0.69) TACR1
SCHEMBL20616636 0.75 TACR1 (0.69) TACR1
SCHEMBL29721650 0.75 TACR1 (0.69) TACR1
SCHEMBL19031827 0.75 TACR1 (0.69) TACR1
SCHEMBL4789442 0.75 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL4755066 0.74 BRD4 (0.40) TACR1
Hydrochloric Acid SCHEMBL4087127 0.74 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL4087130 0.74 TACR1 (0.69) TACR1

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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed