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SCHEMBL7085976

SCHEMBL7085976

CC1=C(C(=O)O)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN(C3CCC(O)(c4ccccn4)CC3)C2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 19/20 0.47
▸ ADRA1A P35348 19/20 0.47
▸ ADRA1B P35368 19/20 0.47
▸ CCR2 P41597 1/20 0.46

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
SCHEMBL7079598 0.93 ADRA1D (0.54) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7081806 0.92 ADRA1D (0.54) ADRA1DADRA1AADRA1B
SCHEMBL7078221 0.88 ADRA1D (0.46) ADRA1DADRA1AADRA1B
SCHEMBL7168450 0.87 ADRA1A (0.60) ADRA1DADRA1AADRA1B
SCHEMBL7082157 0.85 ADRA1A (0.67) ADRA1DADRA1AADRA1B
SCHEMBL7965648 0.85 ADRA1A (0.67) ADRA1DADRA1AADRA1B
SCHEMBL7082162 0.85 ADRA1A (0.67) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7967870 0.85 ADRA1A (0.66) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7968446 0.85 ADRA1A (0.66) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7967874 0.85 ADRA1A (0.66) ADRA1DADRA1AADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 — — EP claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 — — EP claimed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 — — WO claimed