SCHEMBL7704886

SCHEMBL7704886

Cc1ccc(CCN2CCN(CC(=O)O)CC2)c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.48
PTGER1 P34995 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL7707683 0.87 TACR1 (0.55) TACR1
SCHEMBL7705623 0.79 TACR1 (0.56) TACR1
SCHEMBL7705390 0.78 TACR1 (0.60) TACR1FFAR4
SCHEMBL7705827 0.78 TACR1 (0.56) TACR1
SCHEMBL7699901 0.78 TACR1 (0.59) TACR1FFAR4
SCHEMBL7699781 0.76 TACR1 (0.61) TACR1
SCHEMBL7704919 0.76 TACR1 (0.54) TACR1
SCHEMBL7699833 0.74 TACR1 (0.49) TACR1
SCHEMBL8973914 0.74 TACR1 (0.49) TACR1
SCHEMBL7705823 0.74 TACR1 (0.44) TACR1PTGER1

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-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP claimed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO claimed