SCHEMBL5204583

SCHEMBL5204583

CN(Cc1ccc([N+](=O)[O-])cc1)C(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
PYCR1 P32322 1/20 0.51
TSHR P16473 1/20 0.50
KCNH2 Q12809 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL5205433 0.81 PYCR1 (0.52) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL3153458 0.77 CRHBP (0.64) CRHBPCRHR2PYCR1TSHRKCNH2
Hydrochloric Acid SCHEMBL28581917 0.75 CRHBP (0.62) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL3156368 0.75 KCNH2 (0.61) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL13014373 0.75 LMNA (0.48) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL4810294 0.75 CRHBP (0.61) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL27537075 0.74 CRHBP (0.60) CRHBPCRHR2PYCR1TSHRKCNH2
SCHEMBL5209583 0.74 MAPT (0.42) PYCR1TSHRKCNH2LOXL2ALDH1A1
SCHEMBL7839236 0.74 CRHBP (0.60) CRHBPCRHR2PYCR1KCNH2ALDH1A1
SCHEMBL8996600 0.74 CRHBP (0.49) CRHBPCRHR2PYCR1

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-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF 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