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SCHEMBL9029048

SCHEMBL9029048

CS(=O)(=O)OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.42
▸ TACR1 P25103 3/20 0.42
▸ TACR3 P29371 2/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 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
SCHEMBL9026960 1.00 TACR2 (0.42) TACR2TACR1TACR3CCR5USP2
SCHEMBL9027505 0.97 TACR2 (0.42) TACR2TACR1TACR3CCR5
SCHEMBL9027646 0.97 TACR2 (0.42) TACR2TACR1TACR3CCR5
SCHEMBL8883694 0.95 TACR1 (0.46) TACR2TACR1
SCHEMBL8882055 0.95 TACR1 (0.46) TACR2TACR1
SCHEMBL9027166 0.91 CYP3A4 (0.40) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9028242 0.91 CYP3A4 (0.40) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9027233 0.91 CYP3A4 (0.40) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9026988 0.91 CYP3A4 (0.41) TACR1USP2GLACYP3A4CYP2D6
SCHEMBL9028652 0.90 EPHX2 (0.44) TACR1USP2GLACYP3A4CYP2D6

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
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 — — EP disclosed