SCHEMBL5209151

SCHEMBL5209151

O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2ccc(-c3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ MCHR1 Q99705 5/20 0.62
▸ HTR2C P28335 3/20 0.62
▸ GAA P10253 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ HPGD P15428 1/20 0.58
▸ TNF P01375 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ SLC2A1 P11166 1/20 0.54
▸ TRPV1 Q8NER1 3/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ EPAS1 Q99814 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL694950 0.81 RAB9A (0.73) RAB9AKMT2ANPC1GAAHTT
SCHEMBL8111004 0.79 CCR5 (0.62) NR1H4
Iodide SCHEMBL5209972 0.78 CCR5 (0.62) —
SCHEMBL5647751 0.78 MCHR1 (0.98) MCHR1HTR2CTRPV1
SCHEMBL2926522 0.77 MCHR1 (0.78) RAB9ANPC1MCHR1HTR2CGAA
SCHEMBL12394338 0.77 LMNA (0.62) RAB9AKMT2ANPC1MCHR1GAA
SCHEMBL5647090 0.76 MCHR1 (1.00) MCHR1HTR2CTRPV1
SCHEMBL17740375 0.76 RAB9A (0.76) RAB9AKMT2ANPC1GAAHTT
SCHEMBL2919360 0.76 MCHR1 (0.80) RAB9ANPC1MCHR1HTR2C
SCHEMBL5208758 0.76 CCR5 (0.68) MCHR1

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
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