SCHEMBL5206682

SCHEMBL5206682

CN1CCC(C(=O)OC(C)(C)C)=Cc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.43
GABRG2 P18507 8/20 0.43
GABRB3 P28472 8/20 0.43
GABRA5 P31644 8/20 0.43
GABRA3 P34903 8/20 0.43
GABRA6 Q16445 8/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 1/20 0.38
SRD5A1 P18405 1/20 0.37
RBP4 P02753 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BACE1 P56817 4/20 0.34
ABHD6 Q9BV23 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL1808428 0.86 KDM4E (0.38) SRD5A1MEN1KMT2ANPSR1TUBB4A
SCHEMBL6343215 0.85 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6343396 0.83 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7543301 0.83 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5206950 0.82 SRD5A1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5240544 0.82 MYC (0.39) SRD5A1RBP4ABHD6MEN1KMT2A
SCHEMBL6352535 0.82 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL5204621 0.81 MYC (0.38) SRD5A1RBP4ABHD6MEN1KMT2A
SCHEMBL6341447 0.79 USP30 (0.41) RBP4USP30BACE1ABHD6MEN1
SCHEMBL5206037 0.78 GPR119 (0.41) SRD5A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed